SCHEMBL9851899

SCHEMBL9851899

CCc1cccc2c(=S)c3ccccc3oc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.46
ALOX5 P09917 1/20 0.46
ALDH1A1 P00352 6/20 0.41
GLA P06280 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP19A1 P11511 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
MAOA P21397 3/20 0.40
LMNA P02545 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
RECQL P46063 1/20 0.38
DRD4 P21917 1/20 0.38
PKM P14618 1/20 0.38
MAPT P10636 2/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL10109859 0.86 ALOX5 (0.58) KDM4EALOX5ALDH1A1GLAL3MBTL1
SCHEMBL322799 0.81 SMN1; SMN2 (0.41) KDM4EALOX5ALDH1A1GLAL3MBTL1
SCHEMBL13395979 0.81 KDM4E (0.65) KDM4EALOX5ALDH1A1GLAL3MBTL1
SCHEMBL5608879 0.77 AHR (0.50) KDM4EALDH1A1GLAMAOALMNA
SCHEMBL17853019 0.76 GABRA1 (0.52) KDM4EALOX5ALDH1A1GLALMNA
SCHEMBL9851906 0.74 MAOA (0.64) KDM4EALOX5L3MBTL1MAOARECQL
SCHEMBL9851951 0.74 CDC14B (0.39) KDM4EALOX5ALDH1A1GLAMAOA
SCHEMBL3135566 0.73 LMNA (0.38) KDM4EALDH1A1GLAMAOALMNA
SCHEMBL195537 0.73 ALDH1A1 (0.56) KDM4EALDH1A1GLAMAOANPC1
SCHEMBL29487286 0.73 ALDH1A1 (0.56) KDM4EALDH1A1GLAMAOANPC1

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-0441221-A1 Method for preventing the appearance of efflorescence of mineral substrates BASF Aktiengesellschaft (DE) 1991-08-14 EP disclosed