SCHEMBL8940911

SCHEMBL8940911

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

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
LMNA P02545 1/20 0.31
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C19 P33261 1/20 0.30
PDE4B Q07343 1/20 0.30
MAT2A P31153 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
SCHEMBL8941039 0.91 PDE4B (0.32) RAB9ASMN1; SMN2LMNAALDH1A1CYP1A2
SCHEMBL8306995 0.83
SCHEMBL8134237 0.83 TNF (0.32) RAB9ASMN1; SMN2LMNAALDH1A1CYP1A2
SCHEMBL8941027 0.83 PDE4B (0.30) PDE4BMAT2A
SCHEMBL8303370 0.80 GAA (0.31) SMN1; SMN2ALDH1A1
SCHEMBL8941132 0.80 RAB9A (0.31) RAB9ASMN1; SMN2LMNAALDH1A1CYP1A2
SCHEMBL8305279 0.79 RAB9A (0.30) RAB9ASMN1; SMN2LMNA
SCHEMBL6721329 0.78 LMNA (0.34) RAB9ASMN1; SMN2LMNAALDH1A1CYP1A2
SCHEMBL8940892 0.77 RAB9A (0.31) RAB9ASMN1; SMN2ALDH1A1CYP1A2CYP2C19
SCHEMBL8871769 0.77 KDM4E (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