SCHEMBL6615052

SCHEMBL6615052

CC(=O)Nc1ccc(-c2cc(C3CCCC3)n(C(=O)NC3CC3)n2)c(O)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ SMYD3 Q9H7B4 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ BAZ2B Q9UIF8 1/20 0.36
▸ DHODH Q02127 1/20 0.36
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35

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
SCHEMBL6617380 0.89 CYP3A4 (0.43) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL6617027 0.87 CYP3A4 (0.41) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL6617471 0.86 AAK1 (0.39) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL6619907 0.86 KMT2A (0.44) MEN1KMT2ACYP2D6CYP2C9SMN1; SMN2
SCHEMBL6619685 0.84 JAK2 (0.43) MEN1KMT2AHPGDNPC1RAB9A
SCHEMBL6619126 0.83 CRACR2A (0.48) MEN1KMT2AKDM4EHSD17B10POLB
SCHEMBL6619502 0.83 ACKR3 (0.42) PKMSMN1; SMN2RAB9A
SCHEMBL6617816 0.83 KMT2A (0.52) MEN1KMT2AKDM4EALDH1A1HSD17B10
SCHEMBL6619327 0.82 AAK1 (0.40) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL6606741 0.82 JAK2 (0.43) HPGDSMN1; SMN2NPC1RAB9A

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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