SCHEMBL8538615

SCHEMBL8538615

COc1ccccc1C(C(=O)O)=C(N)C(=O)c1cc(NC=NN)cc(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 5/20 0.40
KDM4E B2RXH2 1/20 0.37
MAPK1 P28482 1/20 0.37
RORB Q92753 5/20 0.36
S1PR1 P21453 1/20 0.36
AVPR2 P30518 1/20 0.35
GPR27 Q9NS67 1/20 0.35
RORC P51449 1/20 0.35
KCNK3 O14649 2/20 0.35
KCNK9 Q9NPC2 2/20 0.35
MAOB P27338 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
SCHEMBL8538088 0.86 P2RX1 (0.38) RXFP1RORBRORC
SCHEMBL8538589 0.85 P2RX1 (0.41) KCNK3MAOB
SCHEMBL8540355 0.85 KCNK3 (0.45) KDM4EMAPK1KCNK3KCNK9
SCHEMBL8538385 0.72 KCNK3 (0.43) KCNK3KCNK9
SCHEMBL8542364 0.70 CES2 (0.47) RXFP1KCNK3KCNK9
SCHEMBL8538807 0.70 KCNK3 (0.42) KDM4EKCNK3KCNK9
SCHEMBL8539554 0.69 CA1 (0.38) KDM4EMAPK1KCNK3KCNK9
SCHEMBL8538610 0.69 P2RX1 (0.36) RXFP1KDM4EMAOB
SCHEMBL8536780 0.69 MEN1 (0.39) MAPK1
SCHEMBL7508481 0.69 ITGB3 (0.54) KDM4E

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-5852210-A Cinnamic acid derivatives G. D. SEARLE & CO. (US) 1998-12-22 US claimed
US-5852210-A Cinnamic acid derivatives G. D. SEARLE & CO. (US) 1998-12-22 US disclosed