SCHEMBL7529692

SCHEMBL7529692

Cc1cc(Cl)ccc1NC=O

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.50
NOX1 Q9Y5S8 1/20 0.49
GAA P10253 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
POLB P06746 1/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
RAPGEF4 Q8WZA2 1/20 0.42
MAPT P10636 3/20 0.41
EGFR P00533 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL11412614 1.00 MAPK1 (0.50) MAPK1NOX1GAASMN1; SMN2NPC1
SCHEMBL1758540 0.84 RAPGEF4 (0.50) GAAPOLBKMT2ARAPGEF4MAPT
SCHEMBL10891784 0.80 NOX1 (0.49) MAPK1NOX1GAASMN1; SMN2NPC1
SCHEMBL12525500 0.80 NOX1 (0.49) MAPK1NOX1GAASMN1; SMN2NPC1
SCHEMBL30132193 0.79 CA1 (0.50) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL2093389 0.79 MEN1 (0.50) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL10972629 0.79 MEN1 (0.50) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL15453206 0.79 KIF11 (0.39) MAPK1NPC1RAB9APOLBMEN1
SCHEMBL30495360 0.79 KIF11 (0.39) MAPK1NPC1RAB9APOLBMEN1
SCHEMBL325006 0.79 CA1 (0.50) NPC1RAB9APOLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1189891-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION Bioscience AG (DE) 2002-03-27 EP claimed
US-6362342-B1 BIOSYNTHESIS; DRUG LIBRARIES LION BIOSCIENCE AG (DE) 2002-03-26 US claimed
WO-2001000594-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-01-04 WO claimed
US-4034043-A PRODUCTION OF 2-AMINO-5-CHLORO-TOLUENE HYDROCHLORIDE CIBA-GEIGY CORPORATION (US) 1977-07-05 US claimed
WO-2024042494-A1 SUBSTITUTED PYRROLOTRIAZINES MOLECURE SA (PL) 2024-02-29 WO disclosed
EP-1189891-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION Bioscience AG (DE) 2002-03-27 EP disclosed
US-6362342-B1 BIOSYNTHESIS; DRUG LIBRARIES LION BIOSCIENCE AG (DE) 2002-03-26 US disclosed
WO-2001000594-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-01-04 WO disclosed
US-4237168-A INSECTICIDES THE DOW CHEMICAL COMPANY (US) 1980-12-02 US disclosed
US-4140860-A BACTERICIDES STERLING DRUG INC. (US) 1979-02-20 US disclosed
US-4119668-A ANTIBACTERIAL AGENTS STERLING DRUG INC. (US) 1978-10-10 US disclosed
US-4085144-A ANTIBACTERIAL STERLING DRUG INC. (US) 1978-04-18 US disclosed
US-4034043-A PRODUCTION OF 2-AMINO-5-CHLORO-TOLUENE HYDROCHLORIDE CIBA-GEIGY CORPORATION (US) 1977-07-05 US disclosed
US-4034043-A PRODUCTION OF 2-AMINO-5-CHLORO-TOLUENE HYDROCHLORIDE CIBA-GEIGY CORPORATION (US) 1977-07-05 US disclosed
US-4022833-A ANTIBACTERIAL AGENTS STERLING DRUG INC. (US) 1977-05-10 US disclosed