SCHEMBL6919267

SCHEMBL6919267

O=C1CCCN(c2cccc(-c3cnco3)c2)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IMPDH2 P12268 2/20 0.48
▸ MAP4K4 O95819 1/20 0.48
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ CYP11B1 P15538 1/20 0.39
▸ CYP11B2 P19099 1/20 0.39
▸ CREBBP Q92793 1/20 0.39
▸ TRPA1 O75762 1/20 0.38
▸ DGAT2 Q96PD7 1/20 0.37
▸ HDAC4 P56524 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ RHOA P61586 2/20 0.36
▸ ROCK2 O75116 1/20 0.35
▸ JAK3 P52333 1/20 0.35
▸ HDAC3 O15379 1/20 0.35
▸ HDAC1 Q13547 1/20 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
SCHEMBL28794175 0.77 MAP4K4 (0.55) IMPDH2MAP4K4MEN1KMT2ACYP11B1
SCHEMBL6918908 0.75 MAP4K4 (0.47) IMPDH2MAP4K4MEN1KMT2ACYP11B1
SCHEMBL17491405 0.71 RHOA (0.35) CYP11B1CYP11B2RHOAJAK3
SCHEMBL1446773 0.71 MAP4K4 (0.49) MAP4K4MEN1KMT2ADGAT2HDAC4
SCHEMBL5408330 0.70 CHRNB2 (0.55) CYP11B1CYP11B2
SCHEMBL2158739 0.70 KMT2A (0.75) IMPDH2MAP4K4MEN1KMT2ACYP11B1
SCHEMBL1813296 0.69 ALOX5 (0.46) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL22209788 0.68 MAP4K4 (0.48) IMPDH2MAP4K4MEN1KMT2ACYP11B1
SCHEMBL12301330 0.68 ALOX5 (0.56) MEN1KMT2A
SCHEMBL10224171 0.67 ALOX5 (0.41) MEN1KMT2AHDAC4KDM4EALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004011457-A1 1-PHENYLPIPERIDIN-3-ONE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2004-02-05 — — WO disclosed
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