SCHEMBL6673477

SCHEMBL6673477

O=C(Nc1ccc(-c2cc(C3CCCC3)n(C(=O)NCc3ccccc3Cl)n2)c(O)c1)c1cccs1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 7/20 0.44
▸ KMT2A Q03164 7/20 0.44
▸ RAB9A P51151 6/20 0.44
▸ NPC1 O15118 5/20 0.44
▸ MAPT P10636 4/20 0.44
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ GAA P10253 3/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ NFKB2 Q00653 1/20 0.44
▸ RELA Q04206 1/20 0.44
▸ HPGD P15428 1/20 0.42
▸ CASP3 P42574 1/20 0.39
▸ SENP8 Q96LD8 1/20 0.39
▸ SENP7 Q9BQF6 1/20 0.39
▸ SENP6 Q9GZR1 1/20 0.39
▸ POLB P06746 2/20 0.39
▸ ACKR3 P25106 1/20 0.39
▸ LMNA P02545 3/20 0.39
▸ QRFPR Q96P65 1/20 0.39

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
SCHEMBL6617424 0.98 MEN1 (0.44) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL6618072 0.94 MEN1 (0.43) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL6618279 0.91 MAPK14 (0.41) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL6618955 0.90 JAK2 (0.40) RAB9ANPC1MAPTSMN1; SMN2GAA
SCHEMBL6617168 0.89 MAPK14 (0.41) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL6616601 0.89 ACKR3 (0.48) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL6617986 0.89 MAPT (0.43) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL6620870 0.87 MAPT (0.43) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL6617337 0.86 CNR1 (0.39) RAB9AMAPTSMN1; SMN2ALDH1A1GAA
SCHEMBL6606378 0.86 CNR1 (0.40) MEN1KMT2ARAB9ANPC1MAPT

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
EP-1458379-A1 HYDROXYPHENYL-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2004-09-22 — — EP claimed
WO-2003051358-A1 HYDROXYPHENYL-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA SPA (IT) 2003-06-26 — — WO claimed
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