SCHEMBL11196310

SCHEMBL11196310

Cc1ccccc1CN1CCN(c2nnc(N)[nH]2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.52
▸ KDM4E B2RXH2 5/20 0.51
▸ LMNA P02545 3/20 0.51
▸ TNKS O95271 1/20 0.51
▸ PARP1 P09874 1/20 0.51
▸ TNKS2 Q9H2K2 1/20 0.51
▸ TRPC5 Q9UL62 3/20 0.48
▸ MEN1 O00255 3/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ CYP2A13 Q16696 1/20 0.48
▸ ACHE P22303 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.44
▸ HTR7 P34969 1/20 0.43
▸ GAA P10253 2/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ ATM Q13315 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ FABP6 P51161 1/20 0.41
▸ HTT P42858 1/20 0.41

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
SCHEMBL11202780 0.84 POLB (0.56) KMT2AKDM4ELMNATNKSPARP1
SCHEMBL10856538 0.81 GAA (0.58) KMT2AKDM4ELMNAMEN1ALDH1A1
SCHEMBL11196682 0.79 POLB (0.60) KMT2AKDM4ELMNAMEN1ACHE
SCHEMBL16825859 0.79 KMT2A (0.52) KMT2AKDM4ELMNATNKSPARP1
SCHEMBL11196110 0.78 ALDH1A1 (0.50) KMT2ALMNAMEN1ACHEALDH1A1
SCHEMBL11206897 0.77 ALDH1A1 (0.54) KMT2AKDM4ELMNAMEN1ALDH1A1
SCHEMBL11194501 0.75 LMNA (0.51) KMT2AKDM4ELMNATNKSPARP1
SCHEMBL10851723 0.74 TNKS (0.50) KMT2AKDM4ETNKSPARP1TNKS2
SCHEMBL11200198 0.74 ALDH1A1 (0.45) KMT2AKDM4ELMNAMEN1ALDH1A1
SCHEMBL11205350 0.73 HTR1A (0.53) KDM4ELMNAALDH1A1HTR7GAA

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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