SCHEMBL16610036

SCHEMBL16610036

O=C(O)c1cc(F)c(F)s1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DAO P14920 7/20 0.46
GPR35 Q9HC97 3/20 0.46
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
NOTUM Q6P988 8/20 0.44
BCL2L1 Q07817 1/20 0.41

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
SCHEMBL16610035 0.79 CLK1 (0.40) DAOALDH1A1KDM4EMEN1MAPT
SCHEMBL17201685 0.79 DAO (0.45) DAOGPR35ALDH1A1KDM4EMEN1
SCHEMBL18701659 0.79 DAO (0.45) DAOGPR35ALDH1A1KDM4EMEN1
SCHEMBL18701695 0.79 DAO (0.45) DAOGPR35ALDH1A1KDM4EMEN1
SCHEMBL18701754 0.77 DAO (0.63) DAOGPR35ALDH1A1KDM4EMEN1
SCHEMBL18701697 0.77 DAO (0.63) DAOGPR35ALDH1A1KDM4EMEN1
SCHEMBL28891536 0.77 DAO (0.43) DAOGPR35ALDH1A1KDM4EMEN1
SCHEMBL17203200 0.71 MAPT (0.42) DAOGPR35ALDH1A1KDM4EMEN1
SCHEMBL5888342 0.70 DAO (0.40) DAOGPR35ALDH1A1KDM4EMEN1
SCHEMBL34471930 0.70 GPR35 (0.63) DAOGPR35ALDH1A1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180282605-A1 METHOD OF MONITORING A PARAMETER OF A HYDROCARBON WELL, PIPELINE OR FORMATION JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2018-10-04 US disclosed
CN-105593232-B Benzoxazoloxazinone compounds as coagulation factor Xa inhibitors 华北制药集团新药研究开发有限责任公司 2018-06-26 CN disclosed
WO-2017060699-A1 METHOD OF MONITORING A PARAMETER OF A HYDROCARBON WELL, PIPELINE OR FORMATION JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2017-04-13 WO disclosed
CN-105593232-A Benzoxazoloxazinone compounds as coagulation factor Xa inhibitors NORTH CHINA PHARMACEUTICAL NEW DRUG R & D CO LTD 2016-05-18 CN disclosed
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