SCHEMBL9494086

SCHEMBL9494086

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

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CISD2 Q8N5K1 1/20 0.39
RAB9A P51151 4/20 0.39
NPC1 O15118 1/20 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
FKBP1A P62942 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
POLB P06746 2/20 0.35

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
SCHEMBL9495474 0.88 RAB9A (0.40) CISD2RAB9ANPC1MEN1KMT2A
SCHEMBL9497854 0.79
SCHEMBL9494676 0.77 CISD2 (0.31) CISD2
SCHEMBL9493952 0.76 ALDH1A1 (0.33) SMN1; SMN2ALDH1A1POLB
SCHEMBL5257296 0.70 MEN1 (0.42) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL9494540 0.70 KDM4E (0.31) MEN1KMT2A
SCHEMBL9494442 0.70 NPC1 (0.40) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL9496926 0.70 POLB (0.43) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL9494081 0.69 CISD2 (0.39) CISD2RAB9ANPC1MEN1KMT2A
SCHEMBL9499235 0.69 MEN1 (0.39) RAB9ANPC1MEN1KMT2ASMN1; SMN2

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