SCHEMBL11446331

SCHEMBL11446331

CC(=O)Nc1ncc(Cl)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 1/20 0.51
L3MBTL1 Q9Y468 7/20 0.50
TDP1 Q9NUW8 3/20 0.50
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
KMT2A Q03164 2/20 0.48
MAPT P10636 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
ALDH1A1 P00352 3/20 0.48
POLB P06746 2/20 0.48
NR4A1 P22736 1/20 0.47
KDM4E B2RXH2 2/20 0.46
HSD17B10 Q99714 2/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL30127342 0.82 PTK2 (0.49) PTK2L3MBTL1TDP1NPC1RAB9A
SCHEMBL5460719 0.82 MAPT (0.52) L3MBTL1TDP1NPC1RAB9AKMT2A
SCHEMBL12515442 0.82 PTK2 (0.49) PTK2L3MBTL1TDP1NPC1RAB9A
SCHEMBL9995068 0.82 PTK2 (0.49) PTK2L3MBTL1TDP1NPC1KMT2A
SCHEMBL9198708 0.82 ALDH1A1 (0.44) PTK2L3MBTL1NPC1RAB9AKMT2A
SCHEMBL3934451 0.82 ALDH1A1 (0.44) PTK2L3MBTL1TDP1KMT2ASMN1; SMN2
SCHEMBL10388715 0.81 ALDH1A1 (0.43) PTK2L3MBTL1TDP1NPC1RAB9A
SCHEMBL9648858 0.81 ALDH1A1 (0.43) PTK2L3MBTL1NPC1RAB9AKMT2A
SCHEMBL9646590 0.80 ALDH1A1 (0.46) PTK2L3MBTL1TDP1KMT2AMAPT
SCHEMBL9646715 0.80 ALDH1A1 (0.46) PTK2L3MBTL1TDP1KMT2AMAPT

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-4203988-A ANTISECRETORY AGENTS MERCK & CO., INC. (US) 1980-05-20 US disclosed