SCHEMBL5217460

SCHEMBL5217460

CN(c1[c]cccc1)C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 2/20 0.40
JAK3 P52333 5/20 0.38
HPGD P15428 2/20 0.37
ATM Q13315 1/20 0.37
USP2 O75604 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TSHR P16473 1/20 0.36
LCK P06239 1/20 0.36
HRH4 Q9H3N8 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MITF O75030 1/20 0.35
PKM P14618 1/20 0.35
GAA P10253 1/20 0.34
JAK1 P23458 4/20 0.34
JAK2 O60674 2/20 0.34
LMNA P02545 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
SCHEMBL27935163 0.91
SCHEMBL3820880 0.81 KDM4E (0.35) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL6553674 0.77 G6PC1 (0.44) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL25201309 0.72 ADH1A (0.35) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL19227252 0.71 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AKDM4EJAK3
SCHEMBL20733138 0.71 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AKDM4EJAK3
SCHEMBL19227318 0.71 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AKDM4EJAK3
SCHEMBL20733110 0.71 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AKDM4EJAK3
SCHEMBL182620 0.71 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AKDM4EJAK3
SCHEMBL15009629 0.70 ALDH1A1 (0.62) ALDH1A1MEN1KMT2AKDM4EHPGD

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-1567496-B1 PHENYL-PIPERIDIN-4-YLIDENE-METHYL-BENZAMIDE DERIVATIVES FOR THE TREATMENT OF PAIN OR GASTROINTESTINAL DISORDERS ASTRAZENECA AB (SE) 2007-04-11 EP claimed
EP-0274353-B1 PROCESS FOR THE PREPARATION OF BENZOIN SULFONATES CIBA-GEIGY AG (CH) 1990-02-07 EP disclosed
US-4837350-A Process for the preparation of benzoin sulfonates CIBA-GEIGY CORPORATION (US) 1989-06-06 US disclosed
EP-0274353-A1 Process for the preparation of benzoin sulfonates CIBA-GEIGY AG (CH) 1988-07-13 EP disclosed