SCHEMBL9495346

SCHEMBL9495346

O=C(O)C1=CN(Nc2ccccc2)CC=C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
TP53 P04637 1/20 0.33
EPHX1 P07099 1/20 0.33
TSHR P16473 1/20 0.33
EPHX2 P34913 1/20 0.33
CDK9 P50750 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
FABP4 P15090 1/20 0.33
CASP3 P42574 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
MAPT P10636 7/20 0.33
GAA P10253 5/20 0.33
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
CYP1A2 P05177 1/20 0.33
MAPK13 O15264 1/20 0.33

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
SCHEMBL9494505 0.82 KMT2A (0.46) TDP1SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL9497255 0.81 MAPT (0.46) SMN1; SMN2TP53TSHRMAPTGAA
SCHEMBL9495088 0.80 RAB9A (0.47) SMN1; SMN2TP53TSHRMAPTALDH1A1
SCHEMBL9494243 0.80
SCHEMBL9496610 0.73 MAPT (0.47) TDP1SMN1; SMN2TSHRMAPTALDH1A1
SCHEMBL9495474 0.73 RAB9A (0.40) SMN1; SMN2TP53MAPTALDH1A1MEN1
SCHEMBL19815408 0.71 TSHR (0.35) SMN1; SMN2TP53TSHRMAPTGAA
SCHEMBL9498426 0.67
SCHEMBL9494514 0.67
SCHEMBL9420773 0.66

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-5264437-A Antiinflammatory agents, immunosuppressants or antiallergens SYNTEX (U.S.A.) INC. (US) 1993-11-23 US disclosed