SCHEMBL16610034

SCHEMBL16610034

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

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
PABPC1 P11940 1/20 0.30
KMT2A Q03164 1/20 0.30
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
SCHEMBL16610037 0.81 CYP11B1 (0.38) CYP11B1CYP11B2MEN1LMNAPABPC1
SCHEMBL16610032 0.81 HCAR3 (0.32)
SCHEMBL21963195 0.73 CYP11B1 (0.33) CYP11B1CYP11B2
SCHEMBL25416440 0.72
SCHEMBL22870328 0.69 BACE1 (0.37) CYP11B1CYP11B2
SCHEMBL1167218 0.67 BACE1 (0.41)
SCHEMBL22019972 0.66 CYP11B1 (0.33) CYP11B1CYP11B2
SCHEMBL5635402 0.66 KMT2A (0.41) MEN1LMNAPABPC1KMT2ASMN1; SMN2
SCHEMBL5276807 0.66 SMN1; SMN2 (0.43) CYP11B1CYP11B2MEN1LMNAPABPC1
SCHEMBL21963419 0.65 SMN1; SMN2 (0.34) MEN1LMNAPABPC1KMT2ASMN1; 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
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