SCHEMBL9494081

SCHEMBL9494081

Cc1ccc(NN2C=CC=C(C(N)=O)C2)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CISD2 Q8N5K1 1/20 0.39
RAB9A P51151 4/20 0.39
NPC1 O15118 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
TAS1R3 Q7RTX0 2/20 0.36
TAS1R1 Q7RTX1 2/20 0.36
TAS1R2 Q8TE23 2/20 0.36
HPGD P15428 1/20 0.36
LMNA P02545 1/20 0.35
PANK3 Q9H999 1/20 0.35
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34

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
SCHEMBL9495470 0.88 RAB9A (0.40) CISD2RAB9ANPC1MEN1KMT2A
SCHEMBL9497849 0.79
SCHEMBL5252939 0.72 RAB9A (0.45) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL9494438 0.70 EPHX1 (0.40) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL9496918 0.70 KMT2A (0.42) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL9494086 0.69 CISD2 (0.39) CISD2RAB9ANPC1MEN1KMT2A
SCHEMBL9499230 0.69 TSHR (0.39) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL29576788 0.68 MAPT (0.35) RAB9AMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL9495137 0.67
SCHEMBL9497044 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