SCHEMBL8544166

SCHEMBL8544166

Cc1[c]ccc(-c2cccc(NC(=N)N)c2)c1NC=O

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.35
BTK Q06187 4/20 0.33
NR1H4 Q96RI1 1/20 0.32
F2 P00734 1/20 0.31
F10 P00742 1/20 0.31
BRD4 O60885 1/20 0.31
USP7 Q93009 1/20 0.31
MGLL Q99685 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
DHODH Q02127 1/20 0.31
PARP1 P09874 2/20 0.30
PARP10 Q53GL7 2/20 0.30
PARP14 Q460N5 1/20 0.30
PI4K2A Q9BTU6 1/20 0.30
KDR P35968 1/20 0.30
CYP1A2 P05177 1/20 0.30

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
SCHEMBL8536790 0.82 PARP1 (0.41) BTKF2F10PARP1PARP10
SCHEMBL8536836 0.78 MGLL (0.33) CNR1BTKF2F10MGLL
SCHEMBL8530521 0.74 ENPP2 (0.47) MGLL
SCHEMBL8432519 0.73 PTGER4 (0.45) MGLL
SCHEMBL8432447 0.72 PARP1 (0.37) CNR1MGLLDHODHPARP1PARP10
SCHEMBL8429316 0.72 ITGB3 (0.39) MGLL
SCHEMBL8431178 0.71 PLA2G10 (0.39) DHODH
SCHEMBL8538344 0.71 BTK (0.36) BTKPARP1PARP10PARP14
SCHEMBL8432805 0.70 ITGB3 (0.37) BTK
SCHEMBL8432812 0.70 ITGB3 (0.39)

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 1 patent. 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