SCHEMBL8940919

SCHEMBL8940919

CCn1ncc(C(=O)c2ccc3c(c2C)C(OC)C(C)(C)CS3(=O)=O)c1O

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.32
RAB9A P51151 2/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 2/20 0.30
ALDH1A1 P00352 2/20 0.30
HTT P42858 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
TSHR P16473 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL8129289 0.88 SMN1; SMN2 (0.35) SMN1; SMN2RAB9ALMNAGAAALDH1A1
SCHEMBL8127410 0.86 RAB9A (0.34) SMN1; SMN2RAB9ALMNA
SCHEMBL8303808 0.82 RAB9A (0.31) SMN1; SMN2RAB9ALMNA
SCHEMBL8940896 0.81 SMN1; SMN2 (0.32) SMN1; SMN2RAB9ALMNAGAAALDH1A1
SCHEMBL8940960 0.80 RAB9A (0.30) SMN1; SMN2RAB9ALMNA
SCHEMBL8121496 0.79 SMN1; SMN2 (0.32) SMN1; SMN2RAB9ALMNAGAAALDH1A1
SCHEMBL8940913 0.78 RAB9A (0.32) SMN1; SMN2RAB9A
SCHEMBL8120654 0.78 RAB9A (0.34) SMN1; SMN2RAB9ALMNA
SCHEMBL8131597 0.78 LMNA (0.34) SMN1; SMN2RAB9ALMNA
SCHEMBL8120569 0.78 SMN1; SMN2 (0.34) SMN1; SMN2RAB9ALMNAGAAALDH1A1

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