SCHEMBL7474295

SCHEMBL7474295

Cn1nc(-c2c(Cl)cccc2Cl)nc1-c1cccs1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.44
ALDH1A1 P00352 9/20 0.44
NPC1 O15118 5/20 0.42
RAB9A P51151 5/20 0.42
KDM4E B2RXH2 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
MAPT P10636 3/20 0.40
TP53 P04637 2/20 0.40
MAPK1 P28482 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
NR1H2 P55055 2/20 0.38
NR1H3 Q13133 2/20 0.38
HPGD P15428 5/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 3/20 0.37
HSD17B10 Q99714 3/20 0.37
USP2 O75604 1/20 0.37

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
SCHEMBL7477066 0.78 MAPT (0.39) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL7476369 0.76 NR1H2 (0.43) NPC1RAB9AKDM4ESMN1; SMN2MAPT
SCHEMBL29456286 0.75 KDM4E (0.50) TSHRALDH1A1NPC1RAB9AKDM4E
SCHEMBL7471708 0.73 NR1H2 (0.38) NPC1RAB9ASMN1; SMN2MAPTNR1H2
SCHEMBL7477967 0.71 NR1H2 (0.36) NPC1RAB9ANR1H2NR1H3
SCHEMBL5202950 0.71 HTT (0.36) TSHRALDH1A1NPC1RAB9AKDM4E
SCHEMBL6946570 0.70 KDM4E (0.43) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL26766996 0.70 ALDH1A1 (0.46) TSHRALDH1A1NPC1RAB9AKDM4E
SCHEMBL2478481 0.70 TYMP (0.47) TSHRALDH1A1NPC1RAB9AKDM4E
SCHEMBL11869781 0.70 ALDH1A1 (0.47) TSHRALDH1A1NPC1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0922043-B1 PESTICIDAL 3-(SUBSTITUTED PHENYL)-5-(THIENYL OR FURYL)-1,2,4-TRIAZOLES DOW AGROSCIENCES LLC (US) 2002-01-30 EP disclosed
US-6262305-B1 Process and intermediates for preparing 3-(substituted phenyl)-5-(thienyl or furyl)-1,2,4-triazole compounds DOW AGROSCIENCES LLC 2001-07-17 US disclosed
US-6015826-A INSECTICIDES, APHIDICIDES, AND MITICIDES DOW AGROSCIENCES LLC 2000-01-18 US disclosed