SCHEMBL6617986

SCHEMBL6617986

O=C(Nc1ccc(-c2cc(C3CCCC3)n(C(=O)NCc3ccc(Cl)c(Cl)c3)n2)c(O)c1)c1cccs1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.43
▸ MEN1 O00255 8/20 0.43
▸ KMT2A Q03164 8/20 0.43
▸ SMN1; SMN2 Q16637 6/20 0.43
▸ NPC1 O15118 5/20 0.43
▸ RAB9A P51151 5/20 0.43
▸ GAA P10253 5/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ NFKB1 P19838 2/20 0.43
▸ NFKB2 Q00653 2/20 0.43
▸ RELA Q04206 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ TP53 P04637 3/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.39
▸ CASP3 P42574 1/20 0.39
▸ SENP8 Q96LD8 1/20 0.39
▸ SENP7 Q9BQF6 1/20 0.39
▸ SENP6 Q9GZR1 1/20 0.39
▸ KDM4E B2RXH2 5/20 0.39
▸ POLB P06746 2/20 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
SCHEMBL6620870 0.98 MAPT (0.43) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL6617392 0.94 MEN1 (0.41) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL6616601 0.90 ACKR3 (0.48) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL6618494 0.89 ACKR3 (0.41) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL6618879 0.89 SMN1; SMN2 (0.43) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL6619381 0.89 HRH3 (0.43) HRH3
SCHEMBL6673477 0.89 MEN1 (0.44) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL6617884 0.88 ACKR3 (0.42) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL6618436 0.88 RAB9A (0.43) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL6646084 0.88 ACKR3 (0.41) MAPTMEN1KMT2ASMN1; SMN2NPC1

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