SCHEMBL14115802

SCHEMBL14115802

O=C(O)/C=C/c1ccc(-c2ccc(S)cn2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.61
ALDH1A1 P00352 4/20 0.61
HPGD P15428 4/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
MITF O75030 1/20 0.61
KLF5 Q13887 1/20 0.61
RAB9A P51151 3/20 0.57
NPC1 O15118 2/20 0.57
CASP3 P42574 1/20 0.57
SENP8 Q96LD8 1/20 0.57
SENP7 Q9BQF6 1/20 0.57
SENP6 Q9GZR1 1/20 0.57
P4HTM Q9NXG6 1/20 0.46
HCAR2 Q8TDS4 2/20 0.46
ESR1 P03372 2/20 0.46
CA12 O43570 2/20 0.46
AKR1B10 O60218 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA3 P07451 2/20 0.46

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
SCHEMBL14115800 0.85 KDM4E (0.61) KDM4EALDH1A1HPGDSMN1; SMN2MITF
SCHEMBL3735455 0.82 KDM4E (0.65) KDM4EALDH1A1HPGDSMN1; SMN2MITF
SCHEMBL3735450 0.82 KDM4E (0.65) KDM4EALDH1A1HPGDSMN1; SMN2MITF
SCHEMBL5293356 0.80 ALDH1A1 (0.62) KDM4EALDH1A1HPGDSMN1; SMN2MITF
SCHEMBL5293348 0.80 ALDH1A1 (0.62) KDM4EALDH1A1HPGDSMN1; SMN2MITF
SCHEMBL3611594 0.79 KDM4E (0.61) KDM4EALDH1A1HPGDSMN1; SMN2MITF
SCHEMBL3611598 0.79 KDM4E (0.61) KDM4EALDH1A1HPGDSMN1; SMN2MITF
SCHEMBL1055352 0.78 HCAR2 (0.65) KDM4EALDH1A1HPGDSMN1; SMN2P4HTM
SCHEMBL1055350 0.78 HCAR2 (0.65) KDM4EALDH1A1HPGDSMN1; SMN2P4HTM
SCHEMBL27688186 0.78 HCAR2 (0.65) KDM4EALDH1A1HPGDSMN1; SMN2P4HTM

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-1496905-B1 MODULATORS OF HEDGEHOG SIGNALING PATHWAYS, COMPOSITIONS AND USES RELATED THERETO UNIV JOHNS HOPKINS MED (US) 2008-08-13 EP disclosed