SCHEMBL6614679

SCHEMBL6614679

O=C(Nc1ccc(O)c(-c2cc(C3CC3)n(C(=O)NCc3ccccc3Cl)n2)c1)c1ccco1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.42
▸ RAB9A P51151 10/20 0.41
▸ NPC1 O15118 9/20 0.41
▸ CASP3 P42574 1/20 0.41
▸ SENP8 Q96LD8 1/20 0.41
▸ SENP7 Q9BQF6 1/20 0.41
▸ SENP6 Q9GZR1 1/20 0.41
▸ GRM1 Q13255 1/20 0.40
▸ SMN1; SMN2 Q16637 5/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ LMNA P02545 4/20 0.40
▸ TP53 P04637 3/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ CASP1 P29466 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40
▸ RELA Q04206 1/20 0.40
▸ ACKR3 P25106 1/20 0.40
▸ MEN1 O00255 5/20 0.39
▸ KMT2A Q03164 5/20 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
SCHEMBL6619863 0.91 RAB9A (0.43) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL6617910 0.89 MEN1 (0.48) MAPTRAB9ANPC1CASP3SENP8
SCHEMBL6617644 0.88 ACKR3 (0.40) MAPTSMN1; SMN2ALDH1A1LMNATP53
SCHEMBL6617188 0.88 RAB9A (0.41) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL6618131 0.87 MAPT (0.45) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL6618271 0.86 MAPT (0.41) MAPTRAB9ASMN1; SMN2TP53ACKR3
SCHEMBL6603518 0.86 MAPT (0.45) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL6616292 0.85 RAB9A (0.44) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL6622320 0.85 MAPT (0.42) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL6617068 0.85 PKM (0.38) MAPTRAB9ANPC1CASP3SMN1; SMN2

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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