SCHEMBL6621748

SCHEMBL6621748

CC(C)CC(=O)Nc1ccc(-c2cc(C3CCCC3)n(C(=O)NCc3ccccc3Cl)n2)c(O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ RAB9A P51151 3/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ AADAT Q8N5Z0 1/20 0.38
▸ TP53 P04637 3/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ SLC16A3 O15427 2/20 0.37
▸ SLC16A1 P53985 2/20 0.37
▸ MCTS1 Q9ULC4 2/20 0.37
▸ P2RX4 Q99571 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ NFKB2 Q00653 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ RELA Q04206 1/20 0.37

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
SCHEMBL6620062 0.98 CNR1 (0.40) CNR1KDM4ETSHRRAB9ANPC1
SCHEMBL6618283 0.97 CNR1 (0.41) CNR1KDM4ETSHRRAB9ANPC1
SCHEMBL6616528 0.94 TP53 (0.38) CNR1KDM4ETSHRRAB9ANPC1
SCHEMBL6617374 0.92 TP53 (0.39) CNR1KDM4ETSHRRAB9ANPC1
SCHEMBL6615297 0.91 RAB9A (0.38) KDM4ERAB9ANPC1RXFP1SMN1; SMN2
SCHEMBL6620336 0.91 POLB (0.40) CNR1KDM4ETSHRRAB9ANPC1
SCHEMBL6618110 0.90 RAB9A (0.38) KDM4ETSHRRAB9ANPC1SMN1; SMN2
SCHEMBL6617596 0.90 KDM4E (0.40) CNR1KDM4EAADATTP53SLC16A3
SCHEMBL6616445 0.89 SMN1; SMN2 (0.41) KDM4ERAB9ANPC1RXFP1SMN1; SMN2
SCHEMBL6606378 0.88 CNR1 (0.40) CNR1RAB9ANPC1SMN1; SMN2SLC16A3

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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