SCHEMBL9826008

SCHEMBL9826008

CCNc1cc2cc(Cl)ccc2o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.46
TSHR P16473 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
ALOX5 P09917 1/20 0.41
CYP19A1 P11511 1/20 0.41
KDM4E B2RXH2 4/20 0.41
GPR35 Q9HC97 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
ADAM17 P78536 1/20 0.40
KMT2A Q03164 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40

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
Hydrochloric Acid SCHEMBL10458744 0.98 MAOB (0.45) MAOBTSHRTAS1R3TAS1R1ALOX5
SCHEMBL10460620 0.86 CA12 (0.43) TAS1R3TAS1R1KDM4EALDH1A1L3MBTL1
SCHEMBL9826455 0.79 CA12 (0.40) MAOBCA1CA2CA12CA9
SCHEMBL9826673 0.79 CA12 (0.45) CYP19A1GPR35ALDH1A1MMP2MMP9
SCHEMBL9826735 0.77 TAS1R3 (0.52) MAOBTAS1R3TAS1R1KDM4EALDH1A1
SCHEMBL140394 0.77 NPC1 (0.51) MAOBTAS1R3TAS1R1KDM4EALDH1A1
SCHEMBL9827183 0.76 CYP1A2 (0.45) MAOBTSHRTAS1R3TAS1R1KDM4E
Hydrochloric Acid SCHEMBL10458713 0.76 TAS1R3 (0.51) MAOBTAS1R3TAS1R1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL9826526 0.75 NPC1 (0.50) MAOBTAS1R3TAS1R1KDM4EALDH1A1
SCHEMBL2056119 0.73 CYP19A1 (0.51) MAOBTSHRTAS1R3TAS1R1ALOX5

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-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-0283522-A1 TRIAZINE DERIVATIVE, PRODUCTION THEREOF, AND HERBICIDE CONTAINING SAME AS EFFECTIVE INGREDIENT IDEMITSU KOSAN COMPANY LIMITED (JP) 1988-09-28 EP disclosed