SCHEMBL9903307

SCHEMBL9903307

CC1CN(C(=O)O)Cc2scc(C3CC3)c2O1

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL9903405 1.00 GPR35 (0.35) GPR35SMN1; SMN2
SCHEMBL9903797 0.83 BRD4 (0.36)
SCHEMBL9903873 0.83 SMN1; SMN2 (0.32) SMN1; SMN2
SCHEMBL9903354 0.83 SMN1; SMN2 (0.33) SMN1; SMN2
Hydrochloric Acid SCHEMBL11893788 0.83 BRD4 (0.35)
SCHEMBL9903582 0.80 SMN1; SMN2 (0.30) SMN1; SMN2
SCHEMBL9903657 0.80 GLRA1 (0.36) SMN1; SMN2
SCHEMBL9902728 0.80 GLRA1 (0.36) SMN1; SMN2
SCHEMBL9902897 0.78 LMNA (0.31) SMN1; SMN2
SCHEMBL9902894 0.78 LMNA (0.31) SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8916549-B2 Thienooxazepine derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-12-23 US disclosed
EP-2463290-B1 THIENOOXAZEPINE DERIVATIVE TAKEDA PHARMACEUTICAL (JP) 2014-03-05 EP disclosed
EP-2463290-A1 THIENOOXAZEPINE DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2012-06-13 EP disclosed