SCHEMBL8545729

SCHEMBL8545729

CCn1ncc(C(=O)c2cc(Cl)c3c(c2C)/C(=N/OC)CCS3)c1O

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TP53 P04637 3/20 0.32
MAPT P10636 3/20 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
SCHEMBL8545731 1.00 RAB9A (0.33) RAB9ASMN1; SMN2TP53MAPT
SCHEMBL8871769 0.91 KDM4E (0.31) RAB9ASMN1; SMN2TP53MAPT
SCHEMBL8871773 0.91 KDM4E (0.31) RAB9ASMN1; SMN2TP53MAPT
SCHEMBL8120118 0.85 RAB9A (0.36) RAB9ASMN1; SMN2
SCHEMBL8871124 0.84 POLB (0.32) RAB9ASMN1; SMN2MAPT
SCHEMBL8871127 0.84 POLB (0.32) RAB9ASMN1; SMN2MAPT
SCHEMBL8871398 0.83
SCHEMBL8871394 0.83
SCHEMBL8545613 0.83 ALDH1A1 (0.35) SMN1; SMN2MAPT
SCHEMBL8545609 0.83 ALDH1A1 (0.35) SMN1; SMN2MAPT

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