SCHEMBL8940874

SCHEMBL8940874

CCn1ncc(C(=O)c2ccc3c(c2C)C(OC)CC(C)S3(=O)=O)c1O

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
LMNA P02545 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C19 P33261 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
SCHEMBL8303808 0.84 RAB9A (0.31) RAB9ASMN1; SMN2LMNA
SCHEMBL8308933 0.83
SCHEMBL8940960 0.82 RAB9A (0.30) RAB9ASMN1; SMN2LMNA
SCHEMBL8940896 0.79 SMN1; SMN2 (0.32) RAB9ASMN1; SMN2LMNAALDH1A1CYP1A2
SCHEMBL8940919 0.77 SMN1; SMN2 (0.32) RAB9ASMN1; SMN2LMNAALDH1A1CYP1A2
SCHEMBL8307021 0.77 PDE4B (0.32) RAB9ASMN1; SMN2LMNA
SCHEMBL8400562 0.77 RAB9A (0.31) RAB9ASMN1; SMN2
SCHEMBL8941046 0.76
SCHEMBL8940913 0.76 RAB9A (0.32) RAB9ASMN1; SMN2
SCHEMBL8218702 0.75 RAB9A (0.31) RAB9ASMN1; SMN2LMNA

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
US-5587484-A HALOGENATION; OXIDATION; SULFONATION; HERBICIDES IDEMITSU KOSAN CO., LTD. (JP) 1996-12-24 US disclosed