SCHEMBL7623213

SCHEMBL7623213

Cc1cc2cccc(OC(=O)O)c2nc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
GAA P10253 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
LMNA P02545 2/20 0.38
METAP2 P50579 1/20 0.38
METAP1 P53582 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
ALOX5 P09917 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.37
KDR P35968 6/20 0.37
KDM4E B2RXH2 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
DRD4 P21917 1/20 0.36

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
SCHEMBL7623210 0.77 ALDH1A1 (0.44) MAPTGAAMEN1NPC1RAB9A
SCHEMBL7171403 0.75 HSP90AA1 (0.44) MAPTGAAMEN1NPC1RAB9A
SCHEMBL9358679 0.75 PARP1 (0.56) MEN1KMT2ACYP1A2LMNAMETAP2
SCHEMBL9732163 0.73 DRD4 (0.53) MAPTGAAMEN1NPC1RAB9A
SCHEMBL10757084 0.72 HPGD (0.42) MAPTGAAMEN1NPC1RAB9A
SCHEMBL47899 0.72 CYP1A2 (0.44) GAAMEN1NPC1RAB9AKMT2A
SCHEMBL982700 0.71 KDM4E (0.40) MEN1KMT2AKDM4EL3MBTL1
SCHEMBL30122508 0.70 LMNA (0.33) GAAMEN1RAB9AKMT2ACYP1A2
Hydrochloric Acid SCHEMBL4463431 0.70 ALDH1A1 (0.54) GAACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL12970079 0.69 MBNL1 (0.40) MAPTGAAMEN1NPC1RAB9A

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
EP-1221848-A1 SELECTIVE HERBICIDES ON THE BASIS OF N-ARYL-TRIAZOLINE(THI)ONES Bayer Aktiengesellschaft (DE) 2002-07-17 EP disclosed
WO-2001022819-A1 SELECTIVE HERBICIDES ON THE BASIS OF N-ARYL-TRIAZOLINE(THI)ONES BAYER AKTIENGESELLSCHAFT (DE) 2001-04-05 WO disclosed