SCHEMBL16610037

SCHEMBL16610037

CC1(c2cc(F)c(F)s2)OCCO1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
PABPC1 P11940 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL16610034 0.81 CYP11B1 (0.31) CYP11B1CYP11B2MEN1LMNAPABPC1
SCHEMBL21963195 0.79 CYP11B1 (0.33) CYP11B1CYP11B2
SCHEMBL22019972 0.75 CYP11B1 (0.33) CYP11B1CYP11B2
SCHEMBL22870328 0.68 BACE1 (0.37) CYP11B1CYP11B2
SCHEMBL21963419 0.68 SMN1; SMN2 (0.34) MEN1LMNAPABPC1KMT2ASMN1; SMN2
SCHEMBL16610032 0.68 HCAR3 (0.32)
SCHEMBL25416440 0.67
SCHEMBL23951292 0.65 CYP11B1 (0.38) CYP11B1CYP11B2MEN1LMNAPABPC1
SCHEMBL23951356 0.64 CYP11B1 (0.38) CYP11B1CYP11B2MEN1LMNAPABPC1
SCHEMBL23951432 0.64 SMN1; SMN2 (0.43) CYP11B1CYP11B2MEN1LMNAPABPC1

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-2015043364-A1 BENZOXAZOLEOXAZINE KETONE COMPOUND AS BLOOD COAGULATION FACTOR XA INHIBITOR 华北制药集团新药研究开发有限责任公司 2015-04-02 WO disclosed