SCHEMBL21340749

SCHEMBL21340749

Nc1ccc(OCc2cc(F)ccc2Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 12/20 0.56
RAB9A P51151 2/20 0.44
CACNA1C Q13936 1/20 0.44
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
MAOA P21397 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALOX5AP P20292 1/20 0.41
FEN1 P39748 1/20 0.41
HTR2A P28223 2/20 0.40
SLC6A4 P31645 2/20 0.40
KCNH2 Q12809 2/20 0.40
ADAMTS4 O75173 1/20 0.40
MMP2 P08253 1/20 0.40
MMP13 P45452 1/20 0.40
MMP14 P50281 1/20 0.40
ADAMTS5 Q9UNA0 1/20 0.40
APP P05067 1/20 0.40

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
SCHEMBL5921916 0.87 RAB9A (0.56) MAOBRAB9ACACNA1CGAAMAPT
SCHEMBL5087355 0.84 CACNA1C (0.48) MAOBRAB9ACACNA1CALOX5APFEN1
SCHEMBL22874660 0.84 FFAR1 (0.49) MAOBRAB9ACACNA1CGAAMAPT
SCHEMBL1283762 0.83 CACNA1C (0.59) MAOBRAB9ACACNA1CGAAMAPT
SCHEMBL4638661 0.83 MAOB (0.50) MAOBRAB9ACACNA1CMAPTALOX5AP
SCHEMBL17514997 0.81 RAB9A (0.41) MAOBRAB9ACACNA1CGAAALOX5AP
SCHEMBL8184326 0.80 ALDH1A1 (0.48) MAOBRAB9AMAOASMN1; SMN2L3MBTL1
SCHEMBL4339666 0.80 MAOB (0.61) MAOBRAB9ACACNA1CGAAMAPT
SCHEMBL11780100 0.80 MAOB (0.47) MAOBRAB9AGAAMAPTMAOA
SCHEMBL22967402 0.78 HTR2A (0.44) MAOBRAB9ACACNA1CGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3760633-B1 OXAZINO-QUINAZOLINE AND OXAZINO-QUINAZOLINE TYPE COMPOUND, PREPARATION METHOD THEREFOR, AND USES THEREOF BEIJING SCITECH MQ PHARMACEUTICALS LTD (CN) 2021-12-15 EP disclosed
WO-2019170088-A1 OXAZINO-QUINAZOLINE AND OXAZINO-QUINAZOLINE TYPE COMPOUND, PREPARATION METHOD THEREFOR, AND USES THEREOF 北京赛特明强医药科技有限公司 2019-09-12 WO disclosed