SCHEMBL7046535

SCHEMBL7046535

OC(c1cnc(-c2ccc(Cl)cc2)nc1)c1ccccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
HIF1A Q16665 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NR1I2 O75469 1/20 0.41
ABCB11 O95342 1/20 0.41
NR3C1 P04150 1/20 0.41
PGR P06401 1/20 0.41
CYP3A4 P08684 1/20 0.41
ADRA2A P08913 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CNR1 P21554 1/20 0.41
SLC6A2 P23975 1/20 0.41
ACAT1 P24752 1/20 0.41
MAPK1 P28482 1/20 0.41
SLC6A4 P31645 1/20 0.41

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
SCHEMBL10719580 0.82 CRHBP (0.45) TDP1CYP2C9CYP2C19LMNAMAPT
SCHEMBL4082510 0.78 TSHR (0.58) TSHRHIF1ATDP1CYP2C9CYP2C19
SCHEMBL30986710 0.78 TSHR (0.58) TSHRHIF1ATDP1CYP2C9CYP2C19
SCHEMBL22927657 0.78 GAA (0.41) HIF1ACYP2C19BLMALDH1A1NFKB1
SCHEMBL4184665 0.74 SLC6A2 (0.43) TSHRHIF1ATDP1CYP2C9CYP2C19
SCHEMBL4991530 0.74 ATM (0.39) TSHRHIF1ATDP1CYP2C9CYP2C19
SCHEMBL3061790 0.74 GAA (0.44) TSHRHIF1ATDP1CYP2C9CYP2C19
SCHEMBL20281128 0.73 OPRM1 (0.39) TSHRHIF1ATDP1CYP2C9CYP2C19
SCHEMBL29844926 0.73 OPRM1 (0.39) TSHRHIF1ATDP1CYP2C9CYP2C19
SCHEMBL30784777 0.72 GAA (0.46) TSHRHIF1ATDP1CYP2C9CYP2C19

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-1381609-A1 5-HALOGEN-6-PHENYL-7-FLUOROALKYLAMINO-TRIAZOLOPYRIMIDINES AS FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 2004-01-21 EP disclosed
WO-2002083676-A1 5-HALOGEN-6-PHENYL-7-FLUORALKYLAMINO-TRIAZOLOPYRIMIDINES AS FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 2002-10-24 WO disclosed
EP-0254866-B1 QUINOLIN DERIVATIVES, METHOD FOR THEIR PREPARATION, MICROBIZIDES CONTAINING THEM AND THEIR USE IN COMBATING BACTERIA AND FUNGI BASF Aktiengesellschaft (DE) 1991-03-13 EP disclosed
US-4879291-A PLANT GROWTH REGULATORS INSTITUT FUER PFLANZENSCHUTZFORSCHUNG KLEINMACHNOW DER AKADEMIE DER LANDWIRTSCHAFTSWISSENSHAFEN DER DDR (DE) 1989-11-07 US disclosed
US-4737498-A N-alkyl-2,6-dimethylmorpholinocarboxamide salts, compositions and their use as fungicides BASF AKTIENGESELLSCHAFT (DE) 1988-04-12 US disclosed
EP-0254866-A1 Quinolin derivatives, method for their preparation, microbizides containing them and their use in combating bacteria and fungi BASF Aktiengesellschaft (DE) 1988-02-03 EP disclosed
EP-0117320-A1 Benzoylurea compounds, and pesticidal compositions comprising same DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1984-09-05 EP disclosed