SCHEMBL7298799

SCHEMBL7298799

Cc1cc2c(s1)SCCCC2=O

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.45
KDM4E B2RXH2 2/20 0.35
HTT P42858 1/20 0.35
ALDH1A1 P00352 4/20 0.33
TSHR P16473 4/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
RAB9A P51151 2/20 0.33
CYP2C19 P33261 1/20 0.33
VHL P40337 1/20 0.31
ELOC Q15369 1/20 0.31
ELOB Q15370 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.30
PABPC1 P11940 1/20 0.30
NPC1 O15118 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
SCHEMBL10511944 0.73 CA2 (0.82) CA2
SCHEMBL2776823 0.72 TSHR (0.47) HTTALDH1A1TSHRMEN1KMT2A
SCHEMBL13104453 0.67 TSHR (0.42) KDM4EALDH1A1TSHRMEN1KMT2A
SCHEMBL10513879 0.67 ALDH1A1 (0.43) CA2KDM4EHTTALDH1A1RAB9A
SCHEMBL7586252 0.67 CA2 (0.56) CA2KDM4EHTTALDH1A1VHL
SCHEMBL9039217 0.67 HPGD (0.45) CA2HTTTSHR
SCHEMBL9039222 0.67 HPGD (0.45) CA2HTTTSHR
SCHEMBL20618465 0.67 MEN1 (0.36) KDM4EHTTALDH1A1TSHRMEN1
SCHEMBL7297301 0.66 GAA (0.39) CA2
SCHEMBL18193400 0.64 KDM4E (0.46) KDM4EALDH1A1

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-0426018-A2 Thiophene compounds and their pharmaceutical uses YOSHITIOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1991-05-08 EP disclosed