SCHEMBL11194501

SCHEMBL11194501

Nc1ccc(CN2CCN(c3nnc(N)[nH]3)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.51
▸ ALDH1A1 P00352 2/20 0.50
▸ GAA P10253 1/20 0.45
▸ TSHR P16473 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ TNKS O95271 1/20 0.40
▸ PARP1 P09874 1/20 0.40
▸ PARP10 Q53GL7 1/20 0.40
▸ TNKS2 Q9H2K2 1/20 0.40
▸ PARP2 Q9UGN5 1/20 0.40
▸ PARP4 Q9UKK3 1/20 0.40
▸ PARP3 Q9Y6F1 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ USP2 O75604 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MAPK1 P28482 1/20 0.38
▸ DRD4 P21917 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
SCHEMBL11196110 0.89 ALDH1A1 (0.50) LMNAALDH1A1GAATSHRHTT
SCHEMBL11197047 0.89 KDM4E (0.52) GAAKDM4EMAPK1DRD4
SCHEMBL10856538 0.88 GAA (0.58) LMNAALDH1A1GAATSHRHTT
SCHEMBL10851723 0.87 TNKS (0.50) ALDH1A1GAATSHRHTTTNKS
SCHEMBL10860653 0.85 SIGMAR1 (0.54) LMNAGAATSHRHTTMEN1
SCHEMBL11201299 0.85 USP2 (0.50) ALDH1A1GAATSHRUSP2HSD17B10
SCHEMBL11197942 0.84 HRH3 (0.45) LMNAGAATSHRHTTMEN1
SCHEMBL11200656 0.81 SIGMAR1 (0.57) LMNAALDH1A1GAATSHRHTT
SCHEMBL11206897 0.79 ALDH1A1 (0.54) LMNAALDH1A1TSHRHTTKDM4E
SCHEMBL10690328 0.77 LMNA (0.80) LMNAALDH1A1KDM4E

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
US-4421753-A HYPOTENSIVE AGENTS AMERICAN CYANAMID COMPANY (US) 1983-12-20 — — US claimed
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