SCHEMBL8538610

SCHEMBL8538610

C=C(C(=O)OC(=O)c1cc(NC=NN)cc(C(F)(F)F)c1)c1cccc(N)c1OC

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 1/20 0.36
PTGS1 P23219 1/20 0.35
RXFP1 Q9HBX9 6/20 0.35
CFTR P13569 1/20 0.33
MAOB P27338 1/20 0.33
MAPT P10636 5/20 0.33
KDM4E B2RXH2 3/20 0.33
NOTUM Q6P988 1/20 0.32
POLB P06746 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL8542592 0.88 P2RX1 (0.37) P2RX1PTGS1RXFP1CFTRKDM4E
SCHEMBL8538615 0.69 RXFP1 (0.40) RXFP1MAOBKDM4E
SCHEMBL8538589 0.64 P2RX1 (0.41) P2RX1MAOBMAPTHTT
SCHEMBL8538587 0.64 P2RX1 (0.39) P2RX1MAOBMAPT
SCHEMBL8538088 0.64 P2RX1 (0.38) P2RX1RXFP1MAPTHTT
SCHEMBL8535813 0.63 TAS2R14 (0.36) P2RX1PTGS1RXFP1POLB
SCHEMBL8538575 0.61 RAB9A (0.40) MAPTKDM4EPOLBHTT
SCHEMBL8541184 0.61 RAB9A (0.39) MAPTKDM4EPOLBHTT
SCHEMBL7572355 0.61 ALDH1A1 (0.44) MAPTKDM4E
SCHEMBL177123 0.61 ALDH1A1 (0.67) CFTRMAPTKDM4EPOLB

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