SCHEMBL31371124

SCHEMBL31371124

CCOC(=O)C(F)(F)Oc1ccc(Br)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.43
ABCB11 O95342 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
HTR2A P28223 1/20 0.40
PMP22 Q01453 1/20 0.40
PPARA Q07869 1/20 0.40
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
POLB P06746 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
OPRK1 P41145 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
GAA P10253 1/20 0.35
MAPK1 P28482 1/20 0.35
FBP1 P09467 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MCHR1 Q99705 1/20 0.34

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
SCHEMBL15897084 0.81 EPHX2 (0.50) EPHX2ABCB11CYP1A2CYP3A4TSHR
SCHEMBL23519391 0.77 EPHX2 (0.52) EPHX2ABCB11CYP1A2CYP3A4TSHR
SCHEMBL14330640 0.77 POLB (0.48) TSHRALDH1A1HTTPOLBSMN1; SMN2
SCHEMBL2348011 0.76 EPHX2 (0.51) EPHX2ABCB11CYP1A2CYP3A4TSHR
SCHEMBL2398118 0.76 SMN1; SMN2 (0.52) EPHX2TSHRALDH1A1SMN1; SMN2MAPK1
SCHEMBL24901458 0.76 FBP1 (0.46) EPHX2ABCB11CYP1A2CYP3A4TSHR
SCHEMBL23519249 0.75 EPHX2 (0.50) EPHX2ABCB11CYP1A2CYP3A4TSHR
SCHEMBL24497220 0.74 POLB (0.50) EPHX2ABCB11CYP1A2CYP3A4TSHR
Hydrochloric Acid SCHEMBL6981964 0.74 EPHX2 (0.49) EPHX2ABCB11CYP1A2CYP3A4TSHR
SCHEMBL5384911 0.74 TSHR (0.51) EPHX2ABCB11CYP1A2CYP3A4TSHR

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-2025038782-A1 ADENOSINE LIGANDS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS OR CHRONIC HEART FAILURE LUCY THERAPEUTICS, INC. (US) 2025-02-20 WO disclosed