SCHEMBL21937331

SCHEMBL21937331

Cc1cn(C)c2cc(F)c(N)cc12

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.40
BRD4 O60885 2/20 0.39
ATAD2 Q6PL18 1/20 0.32
THRB P10828 1/20 0.31
HTR1D P28221 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL18508820 0.84 TP53 (0.50) TP53THRBKDM4EALDH1A1
SCHEMBL16727200 0.82 TP53 (0.42) TP53THRBKDM4EALDH1A1
SCHEMBL16727214 0.79 TP53 (0.42) TP53THRBKDM4EALDH1A1
SCHEMBL16727202 0.78 TP53 (0.40) TP53THRBKDM4EALDH1A1
SCHEMBL16727189 0.78 TP53 (0.40) TP53THRBKDM4EALDH1A1
SCHEMBL20274232 0.77 PARP1 (0.38)
SCHEMBL16728930 0.75 TP53 (0.38) TP53THRB
SCHEMBL16708694 0.73 MAP3K5 (0.34) TP53ATAD2KDM4EALDH1A1
SCHEMBL16727204 0.73 DRD2 (0.41) TP53THRB
SCHEMBL16729585 0.71 TP53 (0.38) TP53THRB

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-3633380-A1 METHOD FOR PREDICTING THERAPEUTIC EFFECT OF LSD1 INHIBITOR BASED ON EXPRESSION OF INSM1 Taiho Pharmaceutical Co., Ltd. (JP) 2020-04-08 EP disclosed