SCHEMBL21165370

SCHEMBL21165370

COc1c(F)c(F)c(OCCN)c(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.34
PARP1 P09874 2/20 0.33
PARP3 Q9Y6F1 2/20 0.33
TAAR1 Q96RJ0 2/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
KDM4E B2RXH2 1/20 0.32
PLAU P00749 2/20 0.32
ALOX5AP P20292 2/20 0.31
FEN1 P39748 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL23074670 0.85 TAAR1 (0.37) PARP1PARP3TAAR1KDM4EPLAU
SCHEMBL17779775 0.82 TAAR1 (0.32) PARP1PARP3TAAR1KDM4EPLAU
SCHEMBL17779774 0.77
SCHEMBL21165371 0.74 ALDH1A1 (0.44) KDM4E
SCHEMBL3763099 0.74 HSD17B10 (0.41) HSD17B10KDM4ESMN1; SMN2
SCHEMBL13617356 0.72 SMN1; SMN2 (0.58) PARP1PARP3TAAR1KDM4EPLAU
SCHEMBL4457227 0.71 HSD17B10 (0.36) HSD17B10TAAR1HTR2AHTR2CHTR2B
SCHEMBL182607 0.71 HSD17B10 (0.40) HSD17B10KDM4ESMN1; SMN2
SCHEMBL16291435 0.70 RECQL (0.32) SMN1; SMN2
SCHEMBL9633992 0.69 KDM4E (0.52) TAAR1HTR2CHTR2BKDM4ESMN1; SMN2

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
US-10351669-B2 Amino derivatives of perfluoropolyethers SOLVAY SPECIALTY POLYMERS ITALY S.P.A. (IT) 2019-07-16 US disclosed