SCHEMBL9565151

SCHEMBL9565151

CCC(N)c1cc2ccccc2s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.48
CYP1A2 P05177 2/20 0.48
PTGES O14684 1/20 0.48
LMNA P02545 1/20 0.48
LTA4H P09960 1/20 0.48
GAA P10253 1/20 0.48
ALOX15 P16050 1/20 0.48
ALOX12 P18054 1/20 0.48
ALOX5AP P20292 1/20 0.48
LOX P28300 1/20 0.48
EPHX2 P34913 1/20 0.48
PTGS2 P35354 1/20 0.48
LTB4R Q15722 1/20 0.48
CYP2A6 P11509 2/20 0.46
ASIC3 Q9UHC3 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.46
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
AGXT P21549 1/20 0.42

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
SCHEMBL9826398 0.86 ALOX5 (0.49) ALOX5CYP1A2PTGESLMNALTA4H
SCHEMBL18313546 0.82 CYP2A6 (0.50) ALOX5CYP1A2PTGESLMNALTA4H
SCHEMBL11363286 0.82 CYP2A6 (0.46) ALOX5CYP1A2PTGESLMNALTA4H
SCHEMBL8233335 0.81 ALOX5 (0.46) ALOX5CYP1A2PTGESLMNALTA4H
Hydrochloric Acid SCHEMBL18305450 0.81 CYP2A6 (0.49) ALOX5CYP1A2PTGESLMNALTA4H
Hydrochloric Acid SCHEMBL18305447 0.81 CYP2A6 (0.49) ALOX5CYP1A2PTGESLMNALTA4H
SCHEMBL13326262 0.80 ALOX5 (0.49) ALOX5CYP1A2PTGESLMNALTA4H
SCHEMBL2387918 0.80 ALOX5 (0.49) ALOX5CYP1A2PTGESLMNALTA4H
SCHEMBL30238692 0.79 ALOX5 (0.55) ALOX5CYP1A2PTGESLMNALTA4H
SCHEMBL139543 0.79 ALOX5 (0.55) ALOX5CYP1A2PTGESLMNALTA4H

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-0530149-A1 Parasiticide CIBA-GEIGY AG (CH) 1993-03-03 EP claimed
EP-0530149-A1 Parasiticide CIBA-GEIGY AG (CH) 1993-03-03 EP disclosed
EP-0283522-B1 TRIAZINE DERIVATIVE, PRODUCTION THEREOF, AND HERBICIDE CONTAINING SAME AS EFFECTIVE INGREDIENT IDEMITSU KOSAN COMPANY LIMITED (JP) 1991-02-27 EP disclosed
US-4932998-A LOW PHYTOTOXICITY FOR PADDY RICE PLANTS IDEMITSU KOSAN COMPANY LIMITED (JP) 1990-06-12 US disclosed
EP-0216259-B1 TRIAZINE DERIVATIVES, A PROCESS FOR PREPARATION OF THE DERIVATIVES, AND HERBICIDES CONTAINING THE DERIVATIVES AS THE EFFECTIVE COMPONENT IDEMITSU KOSAN COMPANY LIMITED (JP) 1990-02-28 EP disclosed
US-4740230-A Triazine derivatives, and herbicides containing the derivatives as the effective component IDEMITSU KOSAN COMPANY LIMITED (JP) 1988-04-26 US disclosed
EP-0216259-A1 Triazine derivatives, a process for preparation of the derivatives, and herbicides containing the derivatives as the effective component IDEMITSU KOSAN COMPANY LIMITED (JP) 1987-04-01 EP disclosed