SCHEMBL6618072

SCHEMBL6618072

O=C(Nc1ccc(O)c(-c2cc(C3CCC3)n(C(=O)NCc3ccccc3Cl)n2)c1)c1cccs1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.43
▸ KMT2A Q03164 5/20 0.43
▸ GAA P10253 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ MAPT P10636 6/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ NPC1 O15118 4/20 0.41
▸ RAB9A P51151 4/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ KISS1R Q969F8 1/20 0.39
▸ CASP3 P42574 1/20 0.38
▸ SENP8 Q96LD8 1/20 0.38
▸ SENP7 Q9BQF6 1/20 0.38
▸ SENP6 Q9GZR1 1/20 0.38
▸ ACKR3 P25106 1/20 0.38
▸ GRM4 Q14833 2/20 0.38

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 0.95 MEN1 (0.44) MEN1KMT2AGAALMNAMAPT
SCHEMBL6673477 0.94 MEN1 (0.44) MEN1KMT2AGAALMNAMAPT
SCHEMBL6617392 0.89 MEN1 (0.41) MEN1KMT2AGAALMNAMAPT
SCHEMBL6620034 0.88 TMIGD3 (0.38) MEN1KMT2AGAALMNAMAPT
SCHEMBL6617068 0.87 PKM (0.38) GAALMNAMAPTALDH1A1HPGD
SCHEMBL6617644 0.87 ACKR3 (0.40) GAALMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL6617708 0.86 ACKR3 (0.41) LMNAMAPTSMN1; SMN2ACKR3POLB
SCHEMBL6617168 0.86 MAPK14 (0.41) MEN1KMT2AGAALMNAMAPT
SCHEMBL6619198 0.86 CRACR2A (0.44) MEN1KMT2AGAAMAPTSMN1; SMN2
SCHEMBL6660284 0.86 ACKR3 (0.42) MEN1KMT2AGAALMNAMAPT

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-1436253-A1 ACYLSULFONAMIDES AS INHIBITORS OF STEROID SULFATASE Novartis AG (CH) 2004-07-14 — — EP disclosed
WO-2003031397-A1 ACYLSULFONAMIDES AS INHIBITORS OF STEROID SULFATASE NOVARTIS AG (CH) 2003-04-17 — — WO disclosed
Send feedback