SCHEMBL16236602

SCHEMBL16236602

Nc1cccc(-c2cc[nH]c2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.56
MAP4K4 O95819 4/20 0.47
MEN1 O00255 1/20 0.46
PSIP1 O75475 1/20 0.46
AXL P30530 1/20 0.46
MKNK1 Q9BUB5 1/20 0.46
MKNK2 Q9HBH9 1/20 0.46
CYP3A4 P08684 1/20 0.44
CASP1 P29466 1/20 0.44
RECQL P46063 1/20 0.44
PDPK1 O15530 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
METAP2 P50579 1/20 0.42
ENPP2 Q13822 1/20 0.42
KIT P10721 1/20 0.41
NTRK1 P04629 1/20 0.40
MCL1 Q07820 1/20 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
Pyrrole SCHEMBL28720425 0.80 MAOA (0.62) MAOAMAP4K4MEN1PSIP1AXL
SCHEMBL1829400 0.79
SCHEMBL30500254 0.79 MAOA (0.83) MAOAMAP4K4MEN1PSIP1AXL
SCHEMBL29403794 0.79 MAOA (0.83) MAOAMAP4K4MEN1PSIP1AXL
SCHEMBL251095 0.79 MAOA (0.83) MAOAMAP4K4MEN1PSIP1AXL
Hydrochloric Acid SCHEMBL5679694 0.77 CYP1A2 (0.44) CYP3A4
SCHEMBL30935373 0.77 CYP1A2 (0.44) CYP3A4
SCHEMBL11388729 0.77 MAOA (0.79) MAOAMAP4K4MEN1PSIP1AXL
SCHEMBL310174 0.77 MAOA (0.79) MAOAMAP4K4MEN1PSIP1AXL
Ammonia Solution, Strong SCHEMBL21296174 0.77 MAOA (0.79) MAOAMAP4K4MEN1PSIP1AXL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4389738-A1 SOS1 INHIBITOR AND USE THEREOF Kanaph Therapeutics Inc. (KR) 2024-06-26 EP disclosed
US-20160122187-A1 Process for Covalently Grafting a Carbonaceous Material TOTAL RESEARCH & TECHNOLOGY FELUY (BE) 2016-05-05 US disclosed
EP-2997092-A1 PROCESS FOR COVALENTLY GRAFTING A CARBONACEOUS MATERIAL Total Research & Technology Feluy (BE) 2016-03-23 EP disclosed
WO-2014184330-A1 PROCESS FOR COVALENTLY GRAFTING A CARBONACEOUS MATERIAL TOTAL RESEARCH & TECHNOLOGY FELUY (BE) 2014-11-20 WO disclosed