SCHEMBL9833136

SCHEMBL9833136

Cc1ccc(C2=C3C(=O)NC(c4ccccc4)=C3C(=O)N2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.47
GSK3B P49841 2/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
POLB P06746 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
HPGD P15428 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAOA P21397 2/20 0.40
MAOB P27338 2/20 0.40
ALDH1A1 P00352 1/20 0.40
TNKS O95271 1/20 0.39
PARP1 P09874 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
MAPT P10636 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL815442 0.92 PTGS2 (0.50) PTGS2NPC1RAB9APOLBTDP1
SCHEMBL91967 0.88 PTGS2 (0.48) PTGS2GSK3BMAOAMAOBALDH1A1
SCHEMBL7754290 0.88 PTGS2 (0.48) PTGS2GSK3BMAOAMAOBALDH1A1
SCHEMBL278635 0.88 GSK3B (0.48) PTGS2GSK3BHPGDMAOAMAOB
SCHEMBL23786455 0.87 PTGS2 (0.47) PTGS2GSK3BTDP1HPGDMAOA
SCHEMBL815772 0.86 FYN (0.44) PTGS2NPC1RAB9ATDP1HPGD
SCHEMBL12509934 0.85 PTGS2 (0.45) PTGS2RAB9APOLBHPGDMAOA
SCHEMBL3815134 0.84 PTGS2 (0.65) PTGS2GSK3BNPC1RAB9APOLB
SCHEMBL12425028 0.84 NPC1 (0.43) PTGS2GSK3BNPC1RAB9AHPGD
SCHEMBL7753950 0.83 CYP2D6 (0.46) PTGS2GSK3BNPC1RAB9ATDP1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230050869-A1 THERMOELECTRIC CONVERSION MATERIAL, AND THERMOELECTRIC CONVERSION ELEMENT PREPARED THEREWITH TOYO INK SC HOLDINGS CO., LTD. (JP) 2023-02-16 US disclosed
US-7977670-B2 Organic transistor TOYO INK MFG. CO., LTD. (JP) 2011-07-12 US disclosed
US-7977670-B2 Organic transistor TOYO INK MFG. CO., LTD. (JP) 2011-07-12 US disclosed
US-20100032657-A1 ORGANIC TRANSISTOR TOYO INK MFG CO., LTD (JP) 2010-02-11 US disclosed
US-20100032657-A1 ORGANIC TRANSISTOR TOYO INK MFG CO., LTD (JP) 2010-02-11 US disclosed
EP-0224445-B1 PYRROLO-PYRROLE PIGMENT PREPARATIONS, THEIR PREPARATION PROCESS AND THEIR USE CIBA-GEIGY AG (CH) 1991-09-04 EP disclosed
US-4914211-A MIXTURE OF PYRROLOPYRROLES; COLORING HIGH MOLECULAR WEIGHT ORGANIC MATERIAL CIBA-GEIGY CORPORATION (US) 1990-04-03 US disclosed
US-4791204-A FOR COLORING POLYMERS CIBA-GEIGY CORPORATION (US) 1988-12-13 US disclosed