SCHEMBL8206440

SCHEMBL8206440

Nc1c(Oc2ccc(-c3ccccc3)c(N)c2N)ccc(-c2ccccc2)c1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCOA1 Q15788 1/20 0.44
NCOA3 Q9Y6Q9 1/20 0.44
ALDH1A1 P00352 5/20 0.43
HSD17B10 Q99714 3/20 0.43
ADORA2A P29274 1/20 0.42
MAPT P10636 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.38
MAPK1 P28482 2/20 0.36
TP53 P04637 1/20 0.36
RAB9A P51151 1/20 0.36
CYP3A4 P08684 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TDO2 P48775 2/20 0.35
LMNA P02545 2/20 0.35
SMARCA2 P51531 1/20 0.35
SMARCA4 P51532 1/20 0.35
PBRM1 Q86U86 1/20 0.35
BACE1 P56817 1/20 0.34
ALOX5 P09917 1/20 0.34

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
SCHEMBL29229522 0.90 ADORA2A (0.54) NCOA1NCOA3ALDH1A1HSD17B10ADORA2A
SCHEMBL28929369 0.83 ALDH1A1 (0.43) NCOA1ALDH1A1HSD17B10ADORA2AMAPT
SCHEMBL4107003 0.83 ALDH1A1 (0.57) ALDH1A1HSD17B10MAPTMAPK1CYP3A4
SCHEMBL28370510 0.83 ADORA2A (0.51) NCOA1NCOA3ADORA2ARAB9ACYP3A4
SCHEMBL4965451 0.83 NCOA1 (0.53) NCOA1NCOA3ALDH1A1HSD17B10ADORA2A
SCHEMBL27471276 0.80 MAPT (0.45) ALDH1A1HSD17B10MAPTMAPK1TDP1
SCHEMBL28338640 0.79 ALOX5AP (0.37) NCOA1NCOA3ALDH1A1HSD17B10ADORA2A
SCHEMBL20657073 0.79 HSD17B10 (0.57) ALDH1A1HSD17B10MAPTMAPK1RAB9A
SCHEMBL27686257 0.78 GAA (0.48) NCOA1NCOA3ALDH1A1ADORA2ASMN1; SMN2
SCHEMBL21796059 0.75 ADORA2A (0.55) NCOA1NCOA3ADORA2ARAB9ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6051722-A PRECURSOR FOR POLYIMIDE COPOLYMER; USABLE IN OPTICAL LONG-DISTANCE COMMUNICATION, SIGNAL PROCESSING, PHOTOELECTRIC HYBRID CIRCUITS AND OPTICAL COMPUTERS HITACHI CHEMICAL COMPANY, LTD. (JP) 2000-04-18 US disclosed
US-5834575-A POLYIMIDE OR POLYACRYLATE WITH PENDANT GROUP CONTAINING THIOPHENE RING, BENZENE RING AND VICINAL NITRILE GROUPS, SWITCHES FOR OPTICAL SIGNALS, COMMUNICATION TECHNOLOGY HITACHI CHEMICAL COMPANY, LTD. (JP) 1998-11-10 US disclosed