SCHEMBL434491

SCHEMBL434491

Clc1ccc(-c2[c]cccc2)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.42
ALDH1A1 P00352 4/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
HPGD P15428 3/20 0.40
TP53 P04637 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TSHR P16473 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
HSD11B1 P28845 3/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CRHR1 P34998 1/20 0.37
S100A4 P26447 1/20 0.37
ALOX15 P16050 1/20 0.36
PTGS2 P35354 1/20 0.36
GAA P10253 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
SCHEMBL9856911 0.85 PTPN1 (0.40) ALDH1A1HPGDTP53TSHRHSD17B10
SCHEMBL434680 0.81 GPR3 (0.38) HSD11B1S100A4GPR3
SCHEMBL21879764 0.81 PTPRC (0.35) SMN1; SMN2MAPTS100A4
SCHEMBL10945145 0.81 RAB9A (0.41) ALDH1A1NPC1RAB9AHPGDTP53
SCHEMBL6505661 0.81 HSD11B1 (0.43) NPC1RAB9ATP53HSD11B1MEN1
SCHEMBL435005 0.80 AHR (0.45) AHRALDH1A1NPC1RAB9AHPGD
SCHEMBL2113995 0.79 CYP2A6 (0.44) ALDH1A1NPC1RAB9AHPGDTP53
SCHEMBL6279610 0.78 CYP3A4 (0.47) ALDH1A1NPC1RAB9AHPGDTP53
SCHEMBL10395356 0.78 ALDH1A1 (0.35) AHRALDH1A1TP53TSHRHSD17B10
SCHEMBL11841424 0.75 HSD17B10 (0.50) ALDH1A1HPGDHSD17B10MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2595985-A1 ISOXAZOLE, ISOTHIAZOLE, FURANE AND THIOPHENE COMPOUNDS AS MICROBICIDES Syngenta Participations AG (CH) 2013-05-29 EP disclosed
EP-2595984-A1 MICROBICIDES Syngenta Participations AG (CH) 2013-05-29 EP disclosed
WO-2012010567-A1 ISOXAZOLE, ISOTHIAZOLE, FURANE AND THIOPHENE COMPOUNDS AS MICROBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-01-26 WO disclosed
WO-2012010568-A1 MICROBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-01-26 WO disclosed
CN-1159623-C Radiation-sensitive compsn. of chemical amplification type containing onium salt type photosensitive acid generating agent 克拉瑞特金融(BVI)有限公司 2004-07-28 CN disclosed
US-6576664-B1 1-amido-2-hydroxy-substituted-indanes; suppressing production of tumor necrosis factor BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-06-10 US disclosed
US-6358665-B1 ONIUM SALT PRECURSOR FOR GENERATING FLUOROALKYLSULFONATE CLARIANT INTERNATIONAL LTD. (CH) 2002-03-19 US disclosed
US-6166072-A Amino acid derivatives ALLELIX NEUROSCIENCE, INC. (CA) 2000-12-26 US disclosed
CN-1274433-A Radiation-sensitive compsn. of chemical amplification type containing onium salt type photosensitive acid generating agent CLARIANT INT LTD (CH) 2000-11-22 CN disclosed
EP-1033624-A1 RADIATION-SENSITIVE COMPOSITION OF CHEMICAL AMPLIFICATION TYPE Clariant International Ltd. (CH) 2000-09-06 EP disclosed
US-5840722-A ADMINISTERING TO INHIBIT ENDOTHELIN RECEPTORS BASF AKTIENGESELLSCHAFT (DE) 1998-11-24 US disclosed
US-5156669-A Fungicides and plant growth regulators BASF AKTIENGESELLSCHAFT (DE) 1992-10-20 US disclosed
US-4205087-A ANTIARTHRITIC AGENTS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1980-05-27 US disclosed