SCHEMBL6997145

SCHEMBL6997145

CC1Sc2ccc(C(F)(F)F)cc2NC1=O

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.57
POLB P06746 1/20 0.57
HDAC1 Q13547 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
LMNA P02545 1/20 0.52
MAPT P10636 4/20 0.48
TP53 P04637 3/20 0.48
CYBB P04839 1/20 0.48
NOX3 Q9HBY0 1/20 0.48
NOX4 Q9NPH5 1/20 0.48
NOX1 Q9Y5S8 1/20 0.48
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 1/20 0.47
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL6755137 0.89 SMN1; SMN2 (0.48) SMN1; SMN2POLBHDAC1HDAC8HDAC6
SCHEMBL6755136 0.89 SMN1; SMN2 (0.48) SMN1; SMN2POLBHDAC1HDAC8HDAC6
SCHEMBL6755138 0.89 SMN1; SMN2 (0.48) SMN1; SMN2POLBHDAC1HDAC8HDAC6
SCHEMBL19307963 0.86 POLB (0.58) SMN1; SMN2POLBHDAC1HDAC8HDAC6
SCHEMBL7000067 0.83 NOX1 (0.49) SMN1; SMN2POLBHDAC1HDAC8HDAC6
SCHEMBL6993134 0.81 LMNA (0.60) SMN1; SMN2POLBLMNAMAPTTP53
SCHEMBL10651117 0.80 POLB (0.61) SMN1; SMN2POLBHDAC1HDAC8HDAC6
SCHEMBL7004061 0.79 LMNA (0.58) SMN1; SMN2LMNAMAPTTP53CYBB
SCHEMBL24124964 0.78 POLB (0.63) SMN1; SMN2POLBHDAC1HDAC8HDAC6
SCHEMBL14020823 0.78 POLB (0.63) SMN1; SMN2POLBHDAC1HDAC8HDAC6

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