SCHEMBL16082519

SCHEMBL16082519

CCCCc1nc2cc(C(=O)NCc3ccccc3Cl)ccc2n1-c1cccc(C)c1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 7/20 0.65
▸ ATM Q13315 1/20 0.57
▸ LMNA P02545 3/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ HPGD P15428 1/20 0.49
▸ MAPT P10636 3/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ RXFP1 Q9HBX9 1/20 0.47

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
SCHEMBL17480774 0.91 TP53 (0.61) TP53ATMLMNAKMT2AMEN1
SCHEMBL16082491 0.87 TP53 (0.85) TP53ATMLMNAKMT2AMEN1
SCHEMBL16082518 0.78 TP53 (1.00) TP53LMNAKMT2AMEN1TDP1
SCHEMBL17480781 0.77 ATM (0.71) TP53ATMLMNAKMT2AMEN1
SCHEMBL16082509 0.75 TP53 (0.75) TP53ATMLMNAKMT2AMEN1
SCHEMBL7671757 0.73 TP53 (0.59) TP53TDP1
SCHEMBL16082498 0.72 TP53 (0.85) TP53LMNAKMT2AMEN1TDP1
SCHEMBL6170907 0.71 AGTR1 (0.66) LMNAHPGDSMN1; SMN2ALDH1A1
SCHEMBL6168674 0.71 AGTR1 (0.57) LMNATDP1HPGDSMN1; SMN2ALDH1A1
SCHEMBL6169384 0.71 PDE2A (0.53) TP53LMNATDP1HPGDSMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9790188-B2 Benzimidazole derivatives and uses thereof WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2017-10-17 — — US disclosed
WO-2014145887-A1 BENZIMIDAZOLE DERIVATIVES AND USES THEREOF WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2014-09-18 — — WO disclosed
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