SCHEMBL8432437

SCHEMBL8432437

COc1ccccc1C(=C=O)[C@](C(=O)O)(c1cccc(NC=NN)c1)N(N)C(=O)OC(C)C

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 4/20 0.38
KCNK3 O14649 6/20 0.38
KCNK9 Q9NPC2 6/20 0.38
MAPT P10636 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAPK1 P28482 2/20 0.35
KDM4E B2RXH2 3/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.34
ATM Q13315 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
SCHEMBL8429189 0.90 RXFP1 (0.37) RXFP1KCNK3KCNK9MAPTCYP1A2
SCHEMBL8430960 0.88 MAPT (0.35) RXFP1MAPTCYP1A2CYP3A4CYP2C19
SCHEMBL8432442 0.84 HPGD (0.36) RXFP1KCNK3KCNK9MAPTCYP1A2
SCHEMBL8431235 0.81 RXFP1 (0.32) RXFP1KCNK3KCNK9MAPTCYP1A2
SCHEMBL8431423 0.79 DHODH (0.34) MAPTCYP1A2CYP2C19MAPK1KMT2A
SCHEMBL8429055 0.78 TRPV4 (0.35) RXFP1KCNK9MAPTCYP1A2CYP3A4
SCHEMBL8432441 0.78 KMT2A (0.32) RXFP1CYP1A2KMT2APOLB
SCHEMBL8431494 0.74 NPC1 (0.34) MAPTCYP1A2CYP3A4CYP2C19KMT2A
SCHEMBL8431435 0.74 CA1 (0.32) RXFP1KCNK3MAPTMAPK1KMT2A
SCHEMBL8430969 0.72 NR1H4 (0.33) KCNK9MAPTCYP1A2CYP3A4CYP2C19

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-5952381-A SELECTIVELY INHIBITING OR ANTAGONIZING THE INTEGRINS; ANTITUMOR AGENTS, ANTIARTHRITIC AGENTS, VIRICIDES, MICROBIOCIDES; TREATING OSTEOPOROSIS, SKIN DISORDERS G. D. SEARLE & CO. (US) 1999-09-14 US claimed
US-5952381-A SELECTIVELY INHIBITING OR ANTAGONIZING THE INTEGRINS; ANTITUMOR AGENTS, ANTIARTHRITIC AGENTS, VIRICIDES, MICROBIOCIDES; TREATING OSTEOPOROSIS, SKIN DISORDERS G. D. SEARLE & CO. (US) 1999-09-14 US disclosed