SCHEMBL8090035

SCHEMBL8090035

O=C(CSc1ccnc2ccccc12)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.54
NR4A1 P22736 1/20 0.49
NR4A2 P43354 1/20 0.49
NR4A3 Q92570 1/20 0.49
CYP19A1 P11511 1/20 0.47
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
MAOB P27338 1/20 0.47
PARP10 Q53GL7 1/20 0.47
CYP1A2 P05177 2/20 0.46
EGFR P00533 3/20 0.46
SRD5A2 P31213 1/20 0.46
GCGR P47871 1/20 0.46
MAPT P10636 3/20 0.44
ALDH1A1 P00352 2/20 0.44
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
PLA2G4B P0C869 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44

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
SCHEMBL8089979 0.91 CYP1A2 (0.51) SMN1; SMN2CYP1A2MAPTALDH1A1HTT
SCHEMBL8084075 0.88 NR4A2 (0.52) SMN1; SMN2NR4A2CYP19A1MAOBCYP1A2
SCHEMBL8084665 0.87 CYP1A2 (0.57) SMN1; SMN2MAOBCYP1A2EGFRGCGR
SCHEMBL8084757 0.87 ALDH1A1 (0.49) SMN1; SMN2MAOBCYP1A2MAPTALDH1A1
SCHEMBL8088268 0.84 HSD17B10 (0.50) SMN1; SMN2NR4A1MAOBCYP1A2MAPT
SCHEMBL8076747 0.82 CYP1A2 (0.55) SMN1; SMN2CYP1A2MAPTALDH1A1RAB9A
SCHEMBL8076734 0.81 HDAC6 (0.47) MAOBCYP1A2MAPTALDH1A1GAA
SCHEMBL8076711 0.80 MAPT (0.51) SMN1; SMN2CYP1A2MAPTALDH1A1HTT
SCHEMBL8089846 0.80 ALDH1A1 (0.53) SMN1; SMN2CYP1A2MAPTALDH1A1HTT
SCHEMBL8084810 0.80 CHEK2 (0.46) SMN1; SMN2MAOBCYP1A2EGFRALOX5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6057447-A BACTERICIDES FOR CAMPYLOBACTER ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2000-05-02 US disclosed
EP-0926139-A1 QUINOLINE SULFIDE DERIVATIVES ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 1999-06-30 EP disclosed