SCHEMBL21141305

SCHEMBL21141305

CC(CCN)NC(=O)Nc1ccc(F)cc1F

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.64
KMT2A Q03164 1/20 0.57
HSD17B10 Q99714 1/20 0.57
POLB P06746 3/20 0.55
RECQL P46063 1/20 0.54
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
HTT P42858 4/20 0.50
GAA P10253 1/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL21141321 0.83 TAS1R3 (0.63) KMT2APOLBNPC1RAB9ASMN1; SMN2
SCHEMBL17049552 0.82 PKM (0.70) PKMKMT2AHSD17B10POLBRECQL
SCHEMBL21141315 0.81 RAB9A (0.56) KMT2APOLBNPC1RAB9ASMN1; SMN2
SCHEMBL24567587 0.80 PKM (0.67) PKMKMT2AHSD17B10POLBRECQL
SCHEMBL21141319 0.77 POLB (0.50) POLBNPC1RAB9AGAA
SCHEMBL21141308 0.77 TAS1R3 (0.55) KMT2APOLBNPC1RAB9ASMN1; SMN2
SCHEMBL21141318 0.77 MAPK1 (0.50) KMT2ANPC1RAB9ASMN1; SMN2CA12
SCHEMBL27193044 0.77 RAB9A (0.77) PKMPOLBRECQLNPC1RAB9A
SCHEMBL12780368 0.76 RECQL (0.61) PKMKMT2AHSD17B10POLBRECQL
SCHEMBL76076 0.74 PKM (0.59) PKMKMT2AHSD17B10POLBRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10646850-B2 Material for blood purification TORAY INDUSTRIES, INC. (JP) 2020-05-12 US disclosed
US-20190184371-A1 MATERIAL FOR BLOOD PURIFICATION TORAY INDUSTRIES, INC. (JP) 2019-06-20 US disclosed