SCHEMBL8680393

SCHEMBL8680393

COCn1c(-c2ccccc2)nc(C(F)(F)F)cc1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.50
KDM4E B2RXH2 2/20 0.50
ALPL P05186 3/20 0.44
ALPI P09923 2/20 0.44
KCNQ3 O43525 2/20 0.44
KCNQ2 O43526 2/20 0.44
ALDH1A1 P00352 3/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 3/20 0.42
MAPT P10636 2/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TSHR P16473 1/20 0.41
PTGS2 P35354 1/20 0.41
TP53 P04637 2/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 2/20 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
Fluoromethane SCHEMBL27480458 0.80 ALPL (0.43) HSD17B10KDM4EALPLALPIKCNQ3
SCHEMBL13800062 0.73 ALDH1A1 (0.58) HSD17B10KDM4EALPLALPIKCNQ3
SCHEMBL11622203 0.65 PTGS2 (0.51) HSD17B10KDM4EMAPTPTGS2RAB9A
SCHEMBL5762967 0.65 TLR7 (0.48) HSD17B10ALDH1A1PKMHPGDMAPT
SCHEMBL7480252 0.64 PTGS2 (0.54) HSD17B10MAPTPTGS2RAB9ANPC1
SCHEMBL5766296 0.63 TLR7 (0.46) HSD17B10ALPLALPIALDH1A1PKM
SCHEMBL29234875 0.63 PTGS2 (0.52) HSD17B10KDM4EHPGDLMNAPTGS2
SCHEMBL7923478 0.63 HSD17B10 (0.54) HSD17B10KDM4EALDH1A1HPGDMAPT
SCHEMBL8823063 0.63 KDM4E (0.46) HSD17B10KDM4EALDH1A1HPGDMAPT
SCHEMBL2577705 0.62 LMNA (0.58) HSD17B10KDM4EHPGDMAPTLMNA

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-5726124-A IN MIXTURE WITH OTHER HERBICIDES, ALKYLATION AND ETHERIFICATION OF PYRIMIDINONE AND THIOPYRIMIDINONE COMPOUNDS ROHM AND HAAS COMPANY (US) 1998-03-10 US disclosed
EP-0579424-B1 2-substituted pyrimidines and herbicidal use thereof ROHM & HAAS (US) 1996-10-23 EP disclosed
EP-0696588-A1 2-Arylpyrimidines and herbicidal use thereof ROHM AND HAAS COMPANY (US) 1996-02-14 EP disclosed
CN-1109879-A 2-arylpyrimidines and herbicidal use thereof ROHM & HAAS (US) 1995-10-11 CN disclosed
US-5453414-A 2-arylpyrimidines and herbicidal use thereof ROHM AND HAAS COMPANY (US) 1995-09-26 US disclosed
EP-0663396-A1 2-Arylpyrimidines and herbicidal use thereof ROHM AND HAAS COMPANY (US) 1995-07-19 EP disclosed
US-5300477-A 2-arylpyrimidines and herbicidal use thereof ROHM AND HAAS COMPANY (US) 1994-04-05 US disclosed
CN-1084165-A 2-Arylpyrimidines and weeding thereof are used ROHM & HAAS (US) 1994-03-23 CN disclosed
EP-0579424-A1 2-substituted pyrimidines and herbicidal use thereof ROHM AND HAAS COMPANY (US) 1994-01-19 EP disclosed