SCHEMBL7093832

SCHEMBL7093832

CC1Oc2ccc(C(Cc3ccc(S(C)(=O)=O)cc3)NC(=O)OC(C)(C)C)cc2NC1=S

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRB P23467 10/20 0.37
ALDH1A1 P00352 6/20 0.37
HPGD P15428 5/20 0.37
HTT P42858 5/20 0.37
NPSR1 Q6W5P4 5/20 0.37
LMNA P02545 4/20 0.37
PKM P14618 3/20 0.37
HSD17B10 Q99714 3/20 0.37
TSHR P16473 2/20 0.37
TP53 P04637 2/20 0.37
MAPT P10636 1/20 0.37
AGTR1 P30556 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 2/20 0.36
XBP1 P17861 2/20 0.36
MEN1 O00255 1/20 0.36
ALOX15 P16050 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
JAK2 O60674 3/20 0.35
MAPK1 P28482 1/20 0.34

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
SCHEMBL7095139 0.93 CA2 (0.41) PTPRBALDH1A1HPGDHTTNPSR1
SCHEMBL7708221 0.91 PARP1 (0.40) PTPRBALDH1A1HPGDHTTNPSR1
SCHEMBL7095640 0.90 ALDH1A1 (0.37) PTPRBALDH1A1HPGDHTTNPSR1
SCHEMBL7087725 0.89 CTSS (0.41) PTPRBALDH1A1HPGDHTTNPSR1
SCHEMBL7092472 0.89 HSD17B10 (0.37) PTPRBALDH1A1HPGDHTTNPSR1
SCHEMBL7704943 0.89 ALDH1A1 (0.43) ALDH1A1HPGDHTTNPSR1LMNA
SCHEMBL7094044 0.88 SMN1; SMN2 (0.40) ALDH1A1HPGDHTTNPSR1LMNA
SCHEMBL7710783 0.88 PPARG (0.39) ALDH1A1HPGDHTTNPSR1LMNA
SCHEMBL7092669 0.87 CTSS (0.34) PTPRBALDH1A1HPGDHTTNPSR1
SCHEMBL7091267 0.86 HSD17B10 (0.33) PTPRBALDH1A1HPGDHTTNPSR1

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-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