SCHEMBL20323971

SCHEMBL20323971

C=CCc1cccc(-n2nnc3ccccc32)c1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 1/20 0.48
ALDH1A1 P00352 5/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 6/20 0.41
NPSR1 Q6W5P4 5/20 0.41
MEN1 O00255 4/20 0.41
PKM P14618 4/20 0.41
MAPT P10636 4/20 0.41
LMNA P02545 3/20 0.41
HTT P42858 2/20 0.41
HIF1A Q16665 1/20 0.41
KDM4E B2RXH2 2/20 0.40
TSHR P16473 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
TP53 P04637 2/20 0.38
USP2 O75604 2/20 0.38
RAB9A P51151 2/20 0.38
THRB P10828 1/20 0.38
SLC9A1 P19634 2/20 0.38
DGAT1 O75907 1/20 0.38

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
SCHEMBL5616784 0.88 KCNMA1 (0.54) KCNMA1ALDH1A1KMT2ANPSR1MEN1
SCHEMBL9616134 0.84 KCNMA1 (0.55) KCNMA1ALDH1A1KMT2ANPSR1MEN1
SCHEMBL25862494 0.81 KCNMA1 (0.64) KCNMA1ALDH1A1GAAKMT2ANPSR1
SCHEMBL8849556 0.78 KCNMA1 (0.47) KCNMA1ALDH1A1GAAKMT2ANPSR1
SCHEMBL25078456 0.77 KCNMA1 (0.58) KCNMA1ALDH1A1GAAKMT2ANPSR1
SCHEMBL8844809 0.75 KCNMA1 (0.55) KCNMA1ALDH1A1GAAKMT2ANPSR1
SCHEMBL23349069 0.72 KCNMA1 (0.53) KCNMA1ALDH1A1GAAKMT2ANPSR1
SCHEMBL4209963 0.72 KCNMA1 (0.64) KCNMA1ALDH1A1GAAKMT2AMAPT
SCHEMBL18599169 0.72 KCNMA1 (0.55) KCNMA1NPSR1TSHRSMN1; SMN2RAB9A
SCHEMBL24599961 0.71 KCNMA1 (0.51) KCNMA1ALDH1A1GAAKMT2ANPSR1

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-2018119286-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS IMMUNOMODULATORS INCYTE CORPORATION (US) 2018-06-28 WO disclosed