SCHEMBL14420855

SCHEMBL14420855

COc1ccc(CCNC(=S)N2CCN(c3ccccc3O)CC2)cc1OC

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.69
▸ KMT2A Q03164 6/20 0.69
▸ MEN1 O00255 5/20 0.69
▸ LMNA P02545 4/20 0.69
▸ GAA P10253 4/20 0.69
▸ ALDH1A1 P00352 4/20 0.63
▸ HTT P42858 3/20 0.63
▸ SMN1; SMN2 Q16637 2/20 0.63
▸ RAB9A P51151 1/20 0.63
▸ MAPK1 P28482 1/20 0.54
▸ POLB P06746 1/20 0.53
▸ PDGFRB P09619 1/20 0.49
▸ PDGFRA P16234 1/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49

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
SCHEMBL2914057 0.75 PDGFRB (0.83) PDGFRBPDGFRA
SCHEMBL19408052 0.74 KMT2A (0.60) MAPTKMT2AMEN1LMNAGAA
SCHEMBL30964278 0.73 CXCR3 (0.55) KMT2AMEN1GAAALDH1A1SMN1; SMN2
SCHEMBL8699733 0.69 KMT2A (0.52) MAPTKMT2AMEN1LMNAGAA
SCHEMBL5462633 0.69 ALDH1A1 (0.62) MAPTKMT2AMEN1LMNAALDH1A1
SCHEMBL6132010 0.68 GAA (0.62) KMT2AMEN1GAAALDH1A1SMN1; SMN2
SCHEMBL22289851 0.68 MAPT (0.74) MAPTKMT2AMEN1LMNAGAA
SCHEMBL6131871 0.67 ALDH1A1 (0.75) KMT2ALMNAGAAALDH1A1HTT
SCHEMBL6966867 0.67 KMT2A (0.67) MAPTKMT2AMEN1LMNAGAA
Mefeclorazine SCHEMBL2110367 0.66 ADRA1D (0.73) KMT2AALDH1A1MAPK1

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
WO-2007107352-A1 AGENTS THAT DISRUPT CELLULAR REPLICATION AND THEIR USE IN INHIBITING PATHOLOGICAL CONDITIONS THE EUROPEAN MOLECULAR BIOLOGY LABORATORY (DE) 2007-09-27 — — WO disclosed
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