SCHEMBL5010076

SCHEMBL5010076

CC(Cc1ccccc1)Nc1ccc(C(c2ccc(NC(C)Cc3ccccc3)cc2)c2ccc(N(C)C)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
KMT2A Q03164 2/20 0.51
CNR2 P34972 1/20 0.44
SIGMAR1 Q99720 7/20 0.44
TAAR1 Q96RJ0 3/20 0.44
SLC18A2 Q05940 1/20 0.44
ALOX15 P16050 2/20 0.42
MAPK1 P28482 2/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
ALOX12 P18054 1/20 0.42
HIF1A Q16665 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SLC2A1 P11166 1/20 0.41
SLC6A3 Q01959 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
HTR1A P08908 1/20 0.40

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
SCHEMBL3905889 0.88 SIGMAR1 (0.54) ALDH1A1KMT2ASIGMAR1TAAR1SLC18A2
SCHEMBL5011838 0.86 MEN1 (0.53) ALDH1A1KMT2ACNR2SIGMAR1TAAR1
SCHEMBL5011920 0.85 ALDH1A1 (0.44) ALDH1A1KMT2ACNR2SIGMAR1TAAR1
SCHEMBL5010083 0.82 SIGMAR1 (0.46) ALDH1A1KMT2ASIGMAR1TAAR1SLC18A2
SCHEMBL8622544 0.78 ALDH1A1 (0.44) ALDH1A1KMT2ASIGMAR1MAPK1CYP3A4
SCHEMBL9658358 0.78 HTT (0.53) ALDH1A1KMT2ACNR2ALOX15MAPK1
SCHEMBL9657157 0.78 HTT (0.53) ALDH1A1KMT2ACNR2ALOX15MAPK1
SCHEMBL903704 0.78 SIGMAR1 (0.63) ALDH1A1KMT2ASIGMAR1TAAR1SLC18A2
SCHEMBL5981801 0.75 RAB9A (0.54) ALDH1A1KMT2ACNR2MAPK1NPC1
SCHEMBL29020992 0.75 SIGMAR1 (0.55) ALDH1A1KMT2ASIGMAR1TAAR1SLC18A2

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-20080311524-A1 Method For Making Negative-Working Heat-Sensitive Lithographic Printing Plate Precursor AGFA GRAPHICS N.V. (BE) 2008-12-18 US disclosed
US-20060078802-A1 Holographic storage medium SABIC INNOVATIVE PLASTICS IP B.V. 2006-04-13 US disclosed
EP-0239868-B1 PHOTOCHROMIC SYSTEM, LAYER PREPARED THEREOF AND ITS USE BASF Aktiengesellschaft (DE) 1989-12-27 EP disclosed
US-4857438-A Photochromic system and layers produced therewith BASF AKTIENGESELLSCHAFT (DE) 1989-08-15 US disclosed
EP-0239868-A1 Photochromic system, layer prepared thereof and its use BASF Aktiengesellschaft (DE) 1987-10-07 EP disclosed
US-4332884-A USING A DIOXIME CHELATING AGENT RICOH CO., LTD. (JP) 1982-06-01 US disclosed
US-4306014-A AMMONIA OR AMINES SUPPRESS THE COLOR-FORMING REACTION SYSTEM RICOH CO., LTD. (JP) 1981-12-15 US disclosed
US-4251619-A Process for forming photo-polymeric image KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1981-02-17 US disclosed