SCHEMBL6621939

SCHEMBL6621939

O=C(Nc1ccc(O)c(-c2cc(C3CC3)n(Cc3ccccc3)n2)c1)c1ccco1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.48
▸ MEN1 O00255 6/20 0.47
▸ KMT2A Q03164 6/20 0.47
▸ SMN1; SMN2 Q16637 5/20 0.47
▸ HSD17B10 Q99714 5/20 0.47
▸ TP53 P04637 4/20 0.47
▸ LMNA P02545 3/20 0.47
▸ MAPK1 P28482 3/20 0.47
▸ KDM4E B2RXH2 3/20 0.46
▸ RAB9A P51151 9/20 0.46
▸ NPC1 O15118 8/20 0.46
▸ HPGD P15428 3/20 0.46
▸ TSHR P16473 1/20 0.45
▸ SIRT6 Q8N6T7 2/20 0.44
▸ ALDH1A1 P00352 4/20 0.44
▸ KCNJ6 P48051 1/20 0.43
▸ KCNJ5 P48544 1/20 0.43
▸ KCNJ3 P48549 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ SIRT3 Q9NTG7 1/20 0.43

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
SCHEMBL6617632 0.96 MAPT (0.47) MAPTMEN1KMT2ASMN1; SMN2HSD17B10
SCHEMBL6619775 0.91 RAB9A (0.46) MAPTMEN1KMT2ASMN1; SMN2HSD17B10
SCHEMBL6615291 0.88 MAPT (0.46) MAPTMEN1KMT2ASMN1; SMN2HSD17B10
SCHEMBL6615538 0.88 RAB9A (0.48) MAPTMEN1KMT2ASMN1; SMN2HSD17B10
SCHEMBL6619931 0.86 MAPT (0.46) MAPTMEN1KMT2ASMN1; SMN2TP53
SCHEMBL6616979 0.85 RAB9A (0.47) MAPTMEN1KMT2ASMN1; SMN2TP53
SCHEMBL6618509 0.85 MAPT (0.44) MAPTMEN1KMT2ASMN1; SMN2TP53
SCHEMBL6614988 0.84 NPC1 (0.50) MAPTMEN1KMT2ASMN1; SMN2HSD17B10
SCHEMBL6615720 0.82 ACHE (0.44) MAPTMEN1KMT2ASMN1; SMN2TP53
SCHEMBL6617972 0.82 ACHE (0.44) MAPTMEN1KMT2ASMN1; SMN2TP53

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 4 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
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 disclosed
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 disclosed
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