SCHEMBL6993134

SCHEMBL6993134

CCC1Sc2ccc(C(F)(F)F)cc2NC1=O

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.60
MAPT P10636 4/20 0.57
TP53 P04637 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
HTT P42858 1/20 0.52
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
CYBB P04839 1/20 0.44
NOX3 Q9HBY0 1/20 0.44
NOX4 Q9NPH5 1/20 0.44
NOX1 Q9Y5S8 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ADAMTS5 Q9UNA0 1/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 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
SCHEMBL8523594 0.90 LMNA (0.50) LMNAMAPTTP53SMN1; SMN2HTT
SCHEMBL7004061 0.89 LMNA (0.58) LMNAMAPTTP53SMN1; SMN2HTT
SCHEMBL5814643 0.84 LMNA (0.55) LMNAMAPTTP53SMN1; SMN2HTT
SCHEMBL6999115 0.83 LMNA (0.47) LMNAMAPTTP53SMN1; SMN2HTT
SCHEMBL6997145 0.81 SMN1; SMN2 (0.57) LMNAMAPTTP53SMN1; SMN2CYBB
SCHEMBL7000029 0.76 LMNA (0.45) LMNAMAPTTP53SMN1; SMN2HTT
SCHEMBL5671626 0.74 HSD17B10 (0.65) MAPTTP53SMN1; SMN2HTTKMT2A
SCHEMBL24124806 0.74 POLB (0.52) MAPTTP53SMN1; SMN2KMT2AMEN1
SCHEMBL6755138 0.71 SMN1; SMN2 (0.48) LMNAMAPTTP53SMN1; SMN2HTT
SCHEMBL6755136 0.71 SMN1; SMN2 (0.48) 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