SCHEMBL7531434

SCHEMBL7531434

CSc1cccc(N[C]=O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.53
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
POLB P06746 2/20 0.53
TP53 P04637 1/20 0.53
MAPK1 P28482 1/20 0.53
HSD17B10 Q99714 1/20 0.53
HPGD P15428 3/20 0.50
GAA P10253 2/20 0.50
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 2/20 0.46
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
RECQL P46063 1/20 0.45

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
SCHEMBL1322320 0.81 RAB9A (0.49) MAPTMEN1KMT2ASMN1; SMN2POLB
SCHEMBL630874 0.79 MEN1 (0.42) MAPTMEN1KMT2APOLBHSD17B10
SCHEMBL10567833 0.77 MEN1 (0.56) MAPTMEN1KMT2ASMN1; SMN2POLB
SCHEMBL31231920 0.77 MEN1 (0.56) MAPTMEN1KMT2ASMN1; SMN2POLB
SCHEMBL513585 0.77 TRPV1 (0.43) MAPTSMN1; SMN2TP53MAPK1GAA
SCHEMBL222550 0.75 ALDH1A1 (0.46) MAPTMEN1KMT2ASMN1; SMN2TP53
SCHEMBL2317686 0.75 MAPT (0.56) MAPTMEN1KMT2ASMN1; SMN2POLB
SCHEMBL1172183 0.75 CYP1A2 (0.54) MAPTMEN1KMT2ASMN1; SMN2HSD17B10
SCHEMBL4076876 0.74 MEN1 (0.53) MAPTMEN1KMT2ASMN1; SMN2POLB
SCHEMBL7710352 0.73 MAPT (0.53) MAPTMEN1KMT2ASMN1; SMN2POLB

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 7 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
EP-3622511-A1 HOLOGRAPHIC MEDIUM CONTAINING A PHOTOPOLYMER LAYER FOR HOLOGRAPHIC EXPOSURE AND A HIGHLY RESISTANT COATING LAYER Covestro Deutschland AG (DE) 2020-03-18 EP 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