SCHEMBL8682893

SCHEMBL8682893

CCC#CCn1c(=O)ccc2c(Cl)cccc21

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.40
NOTUM Q6P988 1/20 0.37
ALDH1A1 P00352 4/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.35
KDM4E B2RXH2 2/20 0.34
HPGD P15428 1/20 0.34
PARG Q86W56 1/20 0.33
CCR2 P41597 1/20 0.33
PTAFR P25105 1/20 0.32
CNR2 P34972 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL27294569 0.75 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL2798722 0.73 MAPK14 (0.43) MAPK14NOTUMALDH1A1MEN1KMT2A
SCHEMBL2799021 0.71 NOTUM (0.40) MAPK14NOTUMALDH1A1MEN1KMT2A
SCHEMBL10570214 0.63 KDM4E (0.66) ALDH1A1MEN1KMT2APOLBKDM4E
SCHEMBL9207881 0.61 ALDH1A1 (0.56) ALDH1A1MEN1KMT2APOLBKDM4E
SCHEMBL30783430 0.60 KMT2A (0.70) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL29200844 0.60 KMT2A (0.70) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL13311382 0.60 NOTUM (0.50) NOTUMCNR2CYP1A2
SCHEMBL4096894 0.59 KDM4E (0.43) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL8301673 0.59 LMNA (0.38) ALDH1A1KDM4EHPGDNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5753642-A AGRICULTURE, MEDICINE ROHM AND HAAS COMPANY (US) 1998-05-19 US disclosed
US-5728694-A Dihydropyridazinones, pyridazinones and related compounds as fungicides ROHM AND HAAS COMPANY (US) 1998-03-17 US disclosed
US-5728715-A FOR MAMMALS, AGRICULTURE, RICE, WHEAT, TOMATOES ROHM AND HAAS COMPANY (US) 1998-03-17 US disclosed
US-5728698-A AGRICULTURAL USE, RICE, WHEAT ROHM AND HAAS COMPANY (US) 1998-03-17 US disclosed
US-5726176-A FOR CONTROLLING AGRICULTURAL AND MAMMALIAN FUNGAL DISEASES ROHM AND HAAS COMPANY (US) 1998-03-10 US disclosed
US-5726162-A FOR CONTROLLING AGRICULTURAL AND MAMMALIAN FUNGAL DISEASES ROHM AND HAAS COMPANY (US) 1998-03-10 US disclosed
US-5631254-A RICE; HUMAN INFECTIONS ROHM AND HAAS COMPANY (US) 1997-05-20 US disclosed
US-5552409-A PHYTOPATHOGENIC, RICE ROHM AND HAAS COMPANY (US) 1996-09-03 US disclosed
EP-0478195-A1 Dihydropyridazinones, pyridazinones and related compounds as fungicides ROHM AND HAAS COMPANY (US) 1992-04-01 EP disclosed