SCHEMBL7004061

SCHEMBL7004061

CCCC1Sc2ccc(C(F)(F)F)cc2NC1=O

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.58
MAPT P10636 4/20 0.55
TP53 P04637 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
ADAMTS5 Q9UNA0 1/20 0.52
HTT P42858 1/20 0.50
NOX1 Q9Y5S8 2/20 0.43
CYBB P04839 1/20 0.43
NOX3 Q9HBY0 1/20 0.43
NOX4 Q9NPH5 1/20 0.43
HSD17B10 Q99714 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
PPARG P37231 1/20 0.38
TSHR P16473 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL6993134 0.89 LMNA (0.60) LMNAMAPTTP53SMN1; SMN2ADAMTS5
SCHEMBL7000029 0.84 LMNA (0.45) LMNAMAPTTP53SMN1; SMN2ADAMTS5
SCHEMBL5814643 0.82 LMNA (0.55) LMNAMAPTTP53SMN1; SMN2HTT
SCHEMBL8523594 0.80 LMNA (0.50) LMNAMAPTTP53SMN1; SMN2ADAMTS5
SCHEMBL6997145 0.79 SMN1; SMN2 (0.57) LMNAMAPTTP53SMN1; SMN2NOX1
SCHEMBL5671154 0.76 HSD17B10 (0.61) LMNAMAPTTP53SMN1; SMN2HTT
SCHEMBL6999115 0.76 LMNA (0.47) LMNAMAPTTP53SMN1; SMN2HTT
SCHEMBL5094084 0.73 HTT (0.58) LMNAMAPTSMN1; SMN2HTTHSD17B10
SCHEMBL7708360 0.71 ADAMTS5 (0.40) LMNAMAPTTP53SMN1; SMN2ADAMTS5
SCHEMBL7000067 0.69 NOX1 (0.49) LMNAMAPTTP53SMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1015437-B1 BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND THEIR USE IN PHARMACEUTICALS SCHERING AG (DE) 2003-12-03 EP disclosed
US-6365736-B1 TREATMENT OF NERVOUS SYSTEM DISORDERS, CARDIOVASCULAR DISORDERS AND FOR ACTIVITY AS NO-SYNTHASES (NOS) INHIBITORS. SCHERING AKTIENGESELLSCHAFT (DE) 2002-04-02 US disclosed
EP-1015437-A1 BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND THEIR USE IN PHARMACEUTICALS SCHERING AKTIENGESELLSCHAFT (DE) 2000-07-05 EP disclosed
WO-1999012915-A1 BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND THEIR USE IN PHARMACEUTICALS SCHERING AKTIENGESELLSCHAFT (DE) 1999-03-18 WO disclosed