SCHEMBL9737913

SCHEMBL9737913

Cc1c(C)n(Cc2ccccc2)c2c(NC#N)nncc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 1/20 0.43
NPC1 O15118 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.39
HTT P42858 2/20 0.39
MITF O75030 1/20 0.39
TSHR P16473 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
KDM4E B2RXH2 2/20 0.39
POLB P06746 2/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
ADORA3 P0DMS8 3/20 0.37
ADORA1 P30542 3/20 0.37

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
SCHEMBL9754273 0.78 FABP4 (0.49) FABP4NPC1MEN1KMT2ARAB9A
SCHEMBL9738200 0.77 FABP4 (0.48) FABP4NPC1MEN1KMT2ARAB9A
SCHEMBL9740226 0.75 FABP4 (0.46) FABP4NPC1MEN1KMT2ARAB9A
SCHEMBL9738267 0.73 FABP4 (0.47) FABP4NPC1MEN1KMT2ARAB9A
SCHEMBL9738063 0.73 CYP1A2 (0.46) FABP4NPC1MEN1KMT2ARAB9A
SCHEMBL8314453 0.71 ADORA3 (0.52) NPC1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL8316652 0.70 ADORA3 (0.50) FABP4NPC1MEN1KMT2ARAB9A
SCHEMBL9738841 0.70 CYP1A2 (0.52) FABP4SMN1; SMN2HTTNPSR1KDM4E
SCHEMBL8315158 0.69 ALDH1A1 (0.51) MEN1KMT2ASMN1; SMN2HTTNPSR1
SCHEMBL9738531 0.68 GABRA1 (0.48) FABP4SMN1; SMN2HTTTSHRALDH1A1

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
WO-1992006979-A1 NEW DIAZINES BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1992-04-30 WO disclosed