SCHEMBL25384115

SCHEMBL25384115

CCOc1ccc(C(F)F)nc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.48
TDP1 Q9NUW8 2/20 0.41
TSHR P16473 1/20 0.41
LTA4H P09960 2/20 0.38
MAPT P10636 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
SYK P43405 1/20 0.36
PARP10 Q53GL7 1/20 0.35
RELA Q04206 1/20 0.35

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
SCHEMBL18655732 0.86 NQO1 (0.47) NQO1TDP1TSHRMAPTMEN1
SCHEMBL12303239 0.82 NQO1 (0.50) NQO1TDP1TSHRLTA4HKDM4E
SCHEMBL20411522 0.80 CA12 (0.40) TSHRMAPTMEN1KMT2AKDM4E
SCHEMBL31680721 0.79 NQO1 (0.46) NQO1TDP1TSHRLTA4HMEN1
SCHEMBL19965680 0.77 NQO1 (0.43) NQO1TDP1TSHRLTA4HNPC1
SCHEMBL24244753 0.76 MGLL (0.34) MEN1KMT2A
SCHEMBL14480364 0.75 NQO1 (0.42) NQO1TDP1TSHRLTA4HMAPT
SCHEMBL14480252 0.75 NQO1 (0.42) NQO1TDP1TSHRLTA4HMAPT
SCHEMBL24687082 0.74 NQO1 (0.54) NQO1TDP1TSHRLTA4HSYK
SCHEMBL19231932 0.73 MAPT (0.40) NQO1TDP1TSHRMAPTKDM4E

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-2023160672-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH LPA RECEPTOR ACTIVITY LHOTSE BIO , INC. (US) 2023-08-31 WO disclosed