SCHEMBL7968912

SCHEMBL7968912

CC(=O)N(c1ccccc1)c1nccc(Cl)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 4/20 0.39
NPC1 O15118 3/20 0.38
APAF1 O14727 2/20 0.38
POLB P06746 3/20 0.38
RAB9A P51151 2/20 0.38
HTT P42858 1/20 0.38
TDP2 O95551 1/20 0.37
NSD2 O96028 1/20 0.37
CASP3 P42574 1/20 0.37
CACNA1B Q00975 1/20 0.37
APBA1 Q02410 1/20 0.37
HKDC1 Q2TB90 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37

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
SCHEMBL7978926 0.83 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1TSHRNPSR1
SCHEMBL7985647 0.75 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1TSHRNPSR1
SCHEMBL7978954 0.74 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1TSHRNPSR1
SCHEMBL741752 0.72 NPSR1 (0.64) ALDH1A1KMT2AMEN1TSHRNPSR1
SCHEMBL7978886 0.72 KMT2A (0.48) ALDH1A1KMT2AMEN1TSHRNPSR1
SCHEMBL24654512 0.71 ALDH1A1 (0.49) ALDH1A1KMT2AMEN1TSHRNPSR1
SCHEMBL8691853 0.71 KMT2A (0.41) ALDH1A1KMT2AMEN1TSHRNPSR1
SCHEMBL7978951 0.71 POLQ (0.42) ALDH1A1KMT2AMEN1TSHRNPSR1
SCHEMBL9518578 0.70 NPSR1 (0.47) ALDH1A1KMT2AMEN1TSHRNPSR1
SCHEMBL28215851 0.70 KMT2A (0.53) ALDH1A1KMT2AMEN1TSHRNPSR1

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-6235730-B1 ANTICHOLESTEROL AGENT, ANTILIPEMIC AGENT JAPAN TOBACCO, INC. (JP) 2001-05-22 US disclosed
EP-0970954-A1 3-PIPERIDYL-4-OXOQUINAZOLINE DERIVATIVES AND MEDICINCAL COMPOSITIONS CONTAINING THE SAME JAPAN TOBACCO INC. (JP) 2000-01-12 EP disclosed