SCHEMBL6617910

SCHEMBL6617910

O=C(Nc1ccc(O)c(-c2cc(C3CC3)n(C(=O)NCc3ccc(Cl)c(Cl)c3)n2)c1)c1ccco1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 7/20 0.48
▸ KMT2A Q03164 7/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ NPC1 O15118 10/20 0.47
▸ RAB9A P51151 9/20 0.47
▸ CASP3 P42574 1/20 0.47
▸ SENP8 Q96LD8 1/20 0.47
▸ SENP7 Q9BQF6 1/20 0.47
▸ SENP6 Q9GZR1 1/20 0.47
▸ HTT P42858 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ MAPT P10636 6/20 0.41
▸ SMN1; SMN2 Q16637 6/20 0.41
▸ LMNA P02545 4/20 0.41
▸ TP53 P04637 4/20 0.41
▸ 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

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
SCHEMBL6614679 0.89 MAPT (0.42) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL6603518 0.89 MAPT (0.45) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL6622320 0.88 MAPT (0.42) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL6620593 0.88 HRH3 (0.39) RAB9AMAPT
SCHEMBL6618131 0.87 MAPT (0.45) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL6617030 0.87 MEN1 (0.49) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL6617223 0.85 MAPT (0.40) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL6616292 0.85 RAB9A (0.44) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL6614083 0.85 GRM1 (0.39) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL6618795 0.85 HRH3 (0.40) RAB9AMAPTLMNATP53

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
Send feedback