SCHEMBL291980

SCHEMBL291980

C(=Cc1ccccc1)Nc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
MAOB P27338 5/20 0.48
IDO1 P14902 1/20 0.48
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
MAOA P21397 2/20 0.45
EGFR P00533 1/20 0.45
MMP1 P03956 1/20 0.45
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
KMT2A Q03164 3/20 0.44
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 2/20 0.44
ADRB2 P07550 1/20 0.44
NOX1 Q9Y5S8 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8859293 0.95 MAOB (0.48) ALDH1A1MAOBIDO1NPC1RAB9A
SCHEMBL11563826 0.95 MAOB (0.48) ALDH1A1MAOBIDO1NPC1RAB9A
SCHEMBL31253538 0.89 HDAC2 (0.46) ALDH1A1MAOBIDO1NPC1RAB9A
SCHEMBL25321818 0.87 ALDH1A1 (0.54) ALDH1A1IDO1NPC1RAB9ASMN1; SMN2
SCHEMBL28670026 0.85 NFE2L2 (0.59) ALDH1A1MAOBNPC1RAB9ASMN1; SMN2
SCHEMBL28930287 0.85 CYP1B1 (0.44) ALDH1A1MAOBNPC1RAB9ASMN1; SMN2
SCHEMBL5139848 0.85 MMP1 (0.54) ALDH1A1MAOBNPC1RAB9ASMN1; SMN2
SCHEMBL28674798 0.85 NFE2L2 (0.59) ALDH1A1IDO1NPC1RAB9AEGFR
SCHEMBL15524520 0.85 ALDH1A1 (0.58) ALDH1A1MAOBNPC1RAB9ASMN1; SMN2
SCHEMBL28679983 0.85 KMT2A (0.50) ALDH1A1MAOBIDO1NPC1RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 132 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6111045-A YIELDS A VULCANIZED RUBBER SHOWING IMPROVEMENTS IN HEAT BUILD-UP, TENSILE STRENGTH, ABRASION RESISTANCE AND PROCESSABILITY NIPPON ZEON CO. LTD. (JP) 2000-08-29 US claimed
JP-61130355-A None JP disclosed
JP-11255714-A None JP disclosed
JP-4300931-A None JP disclosed
CN-111848488-B Method for synthesizing 3-selenoindole derivative 温州医科大学 2022-12-27 CN disclosed
CN-115368326-A Indene-modified anthracene organic compound and application thereof in organic electroluminescent device 江苏三月科技股份有限公司 2022-11-22 CN disclosed
CN-110372625-B Method for preparing 4-alkyl methyl-4-aryl-1,3-benzoxazine-2 (4H) -ketone by blue light irradiation 常州大学 2022-11-01 CN disclosed
CN-112424320-B Lubricant composition 克鲁勃润滑剂慕尼黑两合欧洲公司 2022-11-01 CN disclosed
CN-113717228-A Beta-phosphinic lactam compound and preparation method thereof 北京化工大学 2021-11-30 CN disclosed
EP-3851489-A1 MODIFIED MULTI-COMPONENT COPOLYMER, RUBBER COMPOSITION, RESIN COMPOSITION, TIRE AND RESIN PRODUCT BRIDGESTONE CORPORATION (JP) 2021-07-21 EP disclosed
US-6013737-A HAVING IMPROVED TENSILE MODULUS AND IMPROVED ABRASION RESISTANCE, COMPRISING AN AMINO GROUP-CONTAINING DIENE RUBBER OF GIVEN MOONEY VISCOSITY, AND SILICA HAVING SPECIFIC SURFACE AREA, A VULCANIZER AND VULCANIZATION ACCELERATOR NIPPON ZEON CO., LTD. (JP) 2000-01-11 US disclosed
EP-0947561-A1 ORGANOPOLYSILOXANE COMPOSITION THREE BOND CO., LTD. (JP) 1999-10-06 EP disclosed
JP-H11255714-A PREPARATION OF ENAMINES AGENCY OF IND SCIENCE & TECHNOL 1999-09-21 JP disclosed
EP-0894824-A1 RUBBER COMPOSITION NIPPON ZEON CO., LTD. (JP) 1999-02-03 EP disclosed
EP-0870786-A1 DIENE RUBBER, PROCESS FOR THE PREPARATION OF THE SAME AND COMPOSITION CONTAINING THE SAME NIPPON ZEON CO., LTD. (JP) 1998-10-14 EP disclosed
EP-0864606-A1 RUBBER COMPOSITION NIPPON ZEON CO., LTD. (JP) 1998-09-16 EP disclosed
EP-0849321-A1 DIENE RUBBER COMPOSITION NIPPON ZEON CO., LTD. (JP) 1998-06-24 EP disclosed
EP-0819731-A1 DIENE RUBBER COMPOSITION NIPPON ZEON CO., LTD. (JP) 1998-01-21 EP disclosed
JP-H04300931-A PRODUCTION OF MODIFIED CONJUGATED DIENE-BASED POLYMER AND RUBBER COMPOSITION NIPPON ZEON CO LTD 1992-10-23 JP disclosed
JP-S61130355-A ANTIOXIDANT FOR RUBBER-LIKE POLYMER NIPPON ZEON CO LTD 1986-06-18 JP disclosed