SCHEMBL24377922

SCHEMBL24377922

Fc1ccc(SCC(F)(F)F)c(Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
ATM Q13315 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
ALOX15 P16050 1/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
HSD17B10 Q99714 1/20 0.34
LDHA P00338 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
SLC6A4 P31645 1/20 0.32
HTR2B P41595 1/20 0.32
PPARD Q03181 1/20 0.32
ADAM17 P78536 1/20 0.31
PLA2G1B P04054 1/20 0.31

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
SCHEMBL29722960 0.81 ALDH1A1 (0.35) KDM4EATMMAPK14
SCHEMBL775820 0.81 ALDH1A1 (0.35) KDM4EATMMAPK14
SCHEMBL11016102 0.80 PDE7A (0.49) KDM4ECYP1A2CYP2C19ALOX15HSD17B10
SCHEMBL10890165 0.80 HSD17B10 (0.42) CRHBPCRHR2HSD17B10PPARD
SCHEMBL24377911 0.78 HTT (0.31) RAB9ASLC6A4
SCHEMBL1255217 0.73 ATM (0.39) KDM4EATML3MBTL1RAB9ASMN1; SMN2
SCHEMBL28941715 0.73 ATM (0.50) KDM4EATML3MBTL1LDHAPLA2G1B
SCHEMBL6602067 0.73 KDM4E (0.35) KDM4EATML3MBTL1RAB9ASMN1; SMN2
SCHEMBL10930709 0.73 MAPK1 (0.51) CYP1A2PPARD
SCHEMBL20220175 0.72 GAA (0.34) PPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022084990-A1 METHODS FOR THE PREPARATION OF PYRAZOLO[3,4-D]PYRIMIDIN-4-ONES AND INTERMEDIATES USED THEREIN ADAMA MAKHTESHIM LTD. (IL) 2022-04-28 WO disclosed