SCHEMBL6614670

SCHEMBL6614670

CCC(CC)C(=O)Nc1ccc(-c2cc(C3CCCC3)n(C(=O)NCCc3ccccc3)n2)c(O)c1.CCC(CC)C(=O)Nc1ccc(-c2cc(C3CCCC3)n(C(=O)NCc3ccccc3)n2)c(O)c1.CCCNC(=O)n1nc(-c2ccc(NC(=O)C(CC)CC)cc2O)cc1C1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.43
▸ KMT2A Q03164 5/20 0.38
▸ MEN1 O00255 4/20 0.38
▸ GAA P10253 3/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ CHRNA7 P36544 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ POLB P06746 2/20 0.35
▸ HSD17B10 Q99714 1/20 0.33
▸ FKBP1A P62942 1/20 0.33
▸ DDR1 Q08345 1/20 0.32
▸ MAPK14 Q16539 1/20 0.32
▸ DDR2 Q16832 1/20 0.32
▸ NPY2R P49146 1/20 0.32

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
SCHEMBL6683269 0.87 LMNA (0.33) LMNAKMT2AMEN1GAAALDH1A1
SCHEMBL6617950 0.87 LMNA (0.47) LMNAKMT2AMEN1GAAALDH1A1
SCHEMBL6617610 0.86 KMT2A (0.40) LMNAKMT2AMEN1GAACYP1A2
SCHEMBL6616066 0.85 KMT2A (0.39) LMNAKMT2AMEN1GAAALDH1A1
SCHEMBL6619894 0.85 KMT2A (0.39) LMNAKMT2AMEN1GAAALDH1A1
SCHEMBL6620487 0.85 CHRNA7 (0.37) LMNAKMT2AMEN1ALDH1A1CHRNA7
SCHEMBL6618534 0.85 NPY2R (0.38) LMNAKMT2AMEN1GAACYP1A2
SCHEMBL6621376 0.84 KMT2A (0.39) LMNAKMT2AMEN1GAAALDH1A1
SCHEMBL6617829 0.83 ALDH1A1 (0.39) LMNAKMT2AGAAALDH1A1POLB
SCHEMBL6617170 0.83 KMT2A (0.45) LMNAKMT2AMEN1GAACYP1A2

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 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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