SCHEMBL7585382

SCHEMBL7585382

Cc1ccc(-c2ccccc2N=C=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.52
TDP1 Q9NUW8 3/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
TRPA1 O75762 1/20 0.38
KMT2A Q03164 5/20 0.38
MEN1 O00255 4/20 0.38
POLB P06746 1/20 0.38
HPRT1 P00492 1/20 0.36
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35
LMNA P02545 2/20 0.35
MAPK1 P28482 2/20 0.35
CA12 O43570 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35

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
SCHEMBL439228 0.85 CASP3 (0.41) TDP1ALDH1A1HPGDKMT2AMEN1
SCHEMBL185120 0.84 CYP3A4 (0.48) CYP3A4TDP1ALDH1A1HPGDTRPA1
SCHEMBL29687996 0.84 CYP3A4 (0.48) CYP3A4TDP1ALDH1A1HPGDTRPA1
SCHEMBL29770893 0.83 CYP3A4 (0.44) CYP3A4TDP1ALDH1A1HPGDTRPA1
SCHEMBL692232 0.83 CYP3A4 (0.44) CYP3A4TDP1ALDH1A1HPGDTRPA1
Methane SCHEMBL27501832 0.82 CYP3A4 (0.47) CYP3A4TDP1ALDH1A1HPGDTRPA1
SCHEMBL6761058 0.81 CYP3A4 (0.47) CYP3A4TDP1ALDH1A1HPGDTRPA1
Methane SCHEMBL29088144 0.81 CYP3A4 (0.42) CYP3A4TDP1ALDH1A1HPGDTRPA1
SCHEMBL11613354 0.81 PTGS2 (0.43) CYP3A4TDP1ALDH1A1HPGDKMT2A
SCHEMBL2405821 0.81 CYP3A4 (0.52) CYP3A4TDP1ALDH1A1HPGDTRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6492484-B2 FLEXIBLE ADHESIVE FILM/POLYURETHANE UNDERFILLING FOR DIE BONDING OF A SEMICONDUCTOR CHIP TO AN ELECTRODE NITTO DENKO CORPORATION (JP) 2002-12-10 US disclosed
EP-0743067-B1 Use of urea and thiourea compounds for elimination or detoxofication of superantigens from body fluids TORAY INDUSTRIES (JP) 2002-11-27 EP disclosed
US-20020055606-A1 Flexible adhesive film/polyurethane underfilling for die bonding of a semiconductor chip to an electrode NITTO DENKO CORPORATION (JP) 2002-05-09 US disclosed
US-6190688-B1 AS ANTIDOTE (MEDICINE) FOR REDUCING OR ELIMINATING TOXIC ACTIVITY OF SUPER ANTIGEN OR AS WOUND DRESSING MATERIAL TORAY INDUSTRIES, INC. (JP) 2001-02-20 US disclosed
US-5928633-A PASSING ANTIGEN-CONTAINING SUBSTANCE THROUGH MATERIAL CONTAINING UREA BONDS OR THIOUREA BONDS AND GROUPS CAPABLE OF FORMING HYDROGEN BONDS TORAY INDUSTRIES, INC. (JP) 1999-07-27 US disclosed
EP-0743067-A2 Use of urea and thiourea compounds for elimination or detoxofication of superantigens from body fluids TORAY INDUSTRIES, INC. (JP) 1996-11-20 EP disclosed