SCHEMBL16357802

SCHEMBL16357802

CCCC(N)c1cn(Cc2ccccc2)nn1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 9/20 0.55
▸ SIGMAR1 Q99720 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ HRH4 Q9H3N8 1/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42

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
SCHEMBL16357618 0.88 CYP19A1 (0.54) CYP19A1SIGMAR1ALDH1A1LMNAHRH4
SCHEMBL30657570 0.80 CYP19A1 (0.51) CYP19A1SIGMAR1ALDH1A1LMNAHRH4
SCHEMBL12229080 0.79 CYP19A1 (0.56) CYP19A1SIGMAR1ALDH1A1LMNAHRH4
SCHEMBL18925110 0.76 CYP19A1 (0.53) CYP19A1SIGMAR1ALDH1A1LMNAHRH4
SCHEMBL10475693 0.75 MEN1 (0.67) CYP19A1SIGMAR1ALDH1A1LMNAHRH4
SCHEMBL22887939 0.75 CYP19A1 (0.56) CYP19A1SIGMAR1ALDH1A1LMNAHRH4
SCHEMBL23376712 0.75 ALDH1A1 (0.62) CYP19A1SIGMAR1ALDH1A1LMNANPC1
SCHEMBL28573787 0.75 CYP19A1 (0.51) CYP19A1SIGMAR1ALDH1A1LMNAHRH4
SCHEMBL18922488 0.72 CYP19A1 (0.49) CYP19A1SIGMAR1ALDH1A1LMNAHRH4
SCHEMBL25836764 0.71 ALDH1A1 (0.51) CYP19A1SIGMAR1ALDH1A1LMNAHRH4

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-2010041699-A1 BTMA2 COMPOUND 学校法人北里研究所 (JP) 2010-04-15 — — WO disclosed
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