SCHEMBL26070565

SCHEMBL26070565

Cc1ccccc1-c1nn[nH]c1C#N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
GAA P10253 1/20 0.41
KDM5A P29375 1/20 0.39
DCUN1D1 Q96GG9 1/20 0.38
LRRK2 Q5S007 1/20 0.38
TSHR P16473 2/20 0.37
HTR7 P34969 1/20 0.37
ALDH1A1 P00352 4/20 0.37
HPGD P15428 3/20 0.37
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
PKM P14618 2/20 0.35
KDM4E B2RXH2 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
SCHEMBL18006158 0.88 AR (0.40) LMNANPC1RAB9ASMN1; SMN2CASP3
SCHEMBL18004110 0.84 USP8 (0.38) LMNANPC1RAB9ASMN1; SMN2CASP3
SCHEMBL18006025 0.84 HTR7 (0.40) LMNANPC1RAB9ASMN1; SMN2CASP3
SCHEMBL730 0.81 ERBB2 (0.39) NPC1RAB9ASMN1; SMN2LRRK2TSHR
SCHEMBL18005941 0.81 USP8 (0.39) LMNATSHRNPSR1RXFP1USP8
SCHEMBL18005942 0.81 HSP90AB1 (0.39) LMNANPC1CASP3SENP7GAA
SCHEMBL18005937 0.81 HSP90AB1 (0.50) LMNAGAAALDH1A1HPGDUSP8
SCHEMBL18005934 0.80 NPC1 (0.42) LMNANPC1RAB9ASMN1; SMN2GAA
SCHEMBL16399347 0.80 ADORA1 (0.42) DCUN1D1HTR7ALDH1A1HPGDCYP11B1
SCHEMBL18003907 0.80 DCUN1D2 (0.38) LMNADCUN1D1LRRK2ALDH1A1NOTUM

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
EP-4219477-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2023-08-02 EP disclosed