SCHEMBL9495474

SCHEMBL9495474

Cc1ccc(NN2C=C(C(=O)O)C=CC2)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 2/20 0.40
MAPK1 P28482 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HTT P42858 2/20 0.38
CISD2 Q8N5K1 1/20 0.38
FKBP1A P62942 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
TAS1R2 Q8TE23 1/20 0.36
JAK2 O60674 1/20 0.36
MAPT P10636 1/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL9494086 0.88 CISD2 (0.39) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL9496610 0.71 MAPT (0.47) RAB9AMEN1KMT2ANPC1MAPK1
SCHEMBL9494505 0.69 KMT2A (0.46) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL9495470 0.68 RAB9A (0.40) RAB9AMEN1KMT2ANPC1MAPK1
SCHEMBL9495088 0.68 RAB9A (0.47) RAB9AMEN1KMT2ANPC1MAPK1
SCHEMBL2091371 0.64 MEN1 (0.71) RAB9AMEN1KMT2ANPC1MAPK1
SCHEMBL11648308 0.63
Fluoride SCHEMBL11786773 0.63 MEN1 (0.69) RAB9AMEN1KMT2ANPC1MAPK1
SCHEMBL27915137 0.62 MEN1 (0.44) RAB9AMEN1KMT2ANPC1MAPK1
SCHEMBL9850862 0.62 GAA (0.65) RAB9AMEN1KMT2ANPC1MAPK1

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