SCHEMBL10851723

SCHEMBL10851723

Nc1nnc(N2CCN(Cc3ccncc3)CC2)[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNKS O95271 1/20 0.50
▸ PARP1 P09874 1/20 0.50
▸ PARP10 Q53GL7 1/20 0.50
▸ TNKS2 Q9H2K2 1/20 0.50
▸ PARP2 Q9UGN5 1/20 0.50
▸ PARP4 Q9UKK3 1/20 0.50
▸ PARP3 Q9Y6F1 1/20 0.50
▸ HPGD P15428 1/20 0.47
▸ CASP1 P29466 1/20 0.46
▸ CASP4 P49662 1/20 0.46
▸ CASP5 P51878 1/20 0.46
▸ POLB P06746 1/20 0.45
▸ GAA P10253 1/20 0.44
▸ LSS P48449 1/20 0.43
▸ CYP2D6 P10635 4/20 0.41
▸ CYP3A4 P08684 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ TSHR P16473 2/20 0.40

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
SCHEMBL10856538 0.87 GAA (0.58) HPGDPOLBGAAMEN1KMT2A
SCHEMBL11194501 0.87 LMNA (0.51) TNKSPARP1PARP10TNKS2PARP2
SCHEMBL11197047 0.84 KDM4E (0.52) GAAMAPK1KDM4E
SCHEMBL11196110 0.84 ALDH1A1 (0.50) POLBGAAMEN1KMT2ATSHR
SCHEMBL11201299 0.81 USP2 (0.50) GAACYP2D6CYP3A4MEN1CYP2C9
SCHEMBL10860653 0.81 SIGMAR1 (0.54) POLBGAAMEN1KMT2ATSHR
SCHEMBL11197942 0.80 HRH3 (0.45) GAAMEN1KMT2ATSHRMAPK1
SCHEMBL11200656 0.80 SIGMAR1 (0.57) GAATSHRALDH1A1KDM4EHTT
SCHEMBL11206897 0.78 ALDH1A1 (0.54) MEN1KMT2ATSHRALDH1A1KDM4E
SCHEMBL16826336 0.77 TNKS (0.50) TNKSPARP1PARP10TNKS2PARP2

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-4582833-A HYPOTENSIVE AGENTS AMERICAN CYANAMID COMPANY (US) 1986-04-15 — — US disclosed
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