SCHEMBL8303370

SCHEMBL8303370

CCn1ncc(C(=O)c2cc(C)c3c(c2C)C(OC)CCS3)c1OS(=O)(=O)c1ccc(Cl)cc1

nearest known ligand 0.31

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.31
PSEN1 P49768 2/20 0.30
PSEN2 P49810 2/20 0.30
APH1B Q8WW43 2/20 0.30
NCSTN Q92542 2/20 0.30
APH1A Q96BI3 2/20 0.30
PSENEN Q9NZ42 2/20 0.30
ALDH1A1 P00352 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL8306995 0.87
SCHEMBL8307113 0.84 GAA (0.31) GAAPSEN1PSEN2APH1BNCSTN
SCHEMBL8307889 0.84 GAA (0.31) GAAPSEN1PSEN2APH1BNCSTN
SCHEMBL8940911 0.80 RAB9A (0.31) ALDH1A1SMN1; SMN2
SCHEMBL8303291 0.78 ALDH1A1 (0.31) GAAALDH1A1HTTSMN1; SMN2
SCHEMBL8308183 0.76 NPC1 (0.31) SMN1; SMN2
SCHEMBL8940887 0.76
SCHEMBL8941176 0.75 NPC1 (0.30) SMN1; SMN2
SCHEMBL8306874 0.75 GAA (0.33) GAAHTTSMN1; SMN2
SCHEMBL8303372 0.74 MAPT (0.30)

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-0629623-B1 PYRAZOLE DERIVATIVE IDEMITSU KOSAN CO (JP) 1999-05-19 EP disclosed
US-5587484-A HALOGENATION; OXIDATION; SULFONATION; HERBICIDES IDEMITSU KOSAN CO., LTD. (JP) 1996-12-24 US disclosed
US-5468722-A Herbicides for corn, wheat, barley IDEMITSU KOSAN CO., LTD. (JP) 1995-11-21 US disclosed
EP-0629623-A1 PYRAZOLE DERIVATIVE IDEMITSU KOSAN COMPANY LIMITED (JP) 1994-12-21 EP disclosed