SCHEMBL6616552

SCHEMBL6616552

CCC(CC)C(=O)Nc1ccc(O)c(-c2cc(C3CCCC3)n(C(=O)NCc3ccccc3F)n2)c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NPY2R P49146 10/20 0.36
▸ SLC1A2 P43004 1/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ KCNJ6 P48051 1/20 0.34
▸ KCNJ5 P48544 1/20 0.34
▸ KCNJ3 P48549 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ KDM4E B2RXH2 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
SCHEMBL6620324 0.98 NPY2R (0.36) NPY2RSLC1A2KMT2AMEN1CYP1A2
SCHEMBL6620279 0.95 KMT2A (0.38) NPY2RSLC1A2KMT2AMEN1CYP1A2
SCHEMBL6616726 0.90 SLC1A2 (0.38) SLC1A2KMT2AKDM4E
SCHEMBL6615944 0.89 ALDH1A1 (0.43) KMT2AMEN1CYP1A2CYP3A4GAA
SCHEMBL6630940 0.88 KMT2A (0.41) NPY2RKMT2AMEN1CYP1A2CYP3A4
SCHEMBL6647398 0.88 KMT2A (0.38) KMT2AMEN1KCNJ6KCNJ5KCNJ3
SCHEMBL6603399 0.88 ALDH1A1 (0.45) KMT2AMEN1CYP1A2CYP3A4GAA
SCHEMBL6620809 0.87 CHRNE (0.38) NPY2RKMT2AMEN1CYP1A2CYP3A4
SCHEMBL6616453 0.86 KMT2A (0.36) NPY2RKMT2AMEN1CYP1A2CYP3A4
SCHEMBL6619894 0.86 KMT2A (0.39) NPY2RKMT2AMEN1CYP1A2CYP3A4

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
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