SCHEMBL8545609

SCHEMBL8545609

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

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
MAPT P10636 1/20 0.32
GAA P10253 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL8545613 1.00 ALDH1A1 (0.35) ALDH1A1MAPTGAAHTTSMN1; SMN2
SCHEMBL8545731 0.83 RAB9A (0.33) MAPTSMN1; SMN2
SCHEMBL8545729 0.83 RAB9A (0.33) MAPTSMN1; SMN2
SCHEMBL8617634 0.80
SCHEMBL8617639 0.80
SCHEMBL8550794 0.79
SCHEMBL8461943 0.79 ALDH1A1 (0.31) ALDH1A1GAAHTTSMN1; SMN2
SCHEMBL8460524 0.79 ALDH1A1 (0.31) ALDH1A1GAAHTTSMN1; SMN2
SCHEMBL8594774 0.77 ALDH1A1 (0.30) ALDH1A1
SCHEMBL8871773 0.74 KDM4E (0.31) MAPTSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0818455-A1 PYRAZOLE DERIVATIVES IDEMITSU KOSAN COMPANY LIMITED (JP) 1998-01-14 EP disclosed