SCHEMBL6617950

SCHEMBL6617950

CCC(CC)C(=O)Nc1ccc(O)c(-c2cc(C3CC3)n(C(=O)NCCc3ccccc3)n2)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.47
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ GAA P10253 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ CRACR2A Q9BSW2 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NPY2R P49146 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HKDC1 Q2TB90 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ KDM4C Q9H3R0 1/20 0.35
▸ ADORA1 P30542 1/20 0.34

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
SCHEMBL6619894 0.92 KMT2A (0.39) LMNAMEN1KMT2AGAAALDH1A1
SCHEMBL6603375 0.90 KMT2A (0.41) LMNAMEN1KMT2AGAAALDH1A1
SCHEMBL6615757 0.89 KDM4C (0.40) LMNAMEN1KMT2AALDH1A1CRACR2A
SCHEMBL6603917 0.89 CHRNA7 (0.36) LMNAMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL6604966 0.88 KMT2A (0.42) LMNAMEN1KMT2AGAACYP1A2
SCHEMBL6614670 0.87 LMNA (0.43) LMNAMEN1KMT2AGAAALDH1A1
SCHEMBL6620003 0.86 RAB9A (0.39) MEN1KMT2AALDH1A1CYP1A2CYP3A4
SCHEMBL6616878 0.85 KMT2A (0.38) LMNAMEN1KMT2AGAACYP1A2
SCHEMBL6630940 0.85 KMT2A (0.41) LMNAMEN1KMT2AGAACYP1A2
SCHEMBL6608027 0.84 KMT2A (0.39) LMNAMEN1KMT2AGAACYP1A2

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-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
Send feedback