SCHEMBL6583165

SCHEMBL6583165

CC1(CC(=O)O)CCN(S(C)(=O)=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 7/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP2C19 P33261 1/20 0.41
CYP2C9 P11712 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALOX15 P16050 2/20 0.38
CYP1A2 P05177 2/20 0.38
HIF1A Q16665 1/20 0.38
ALDH1A1 P00352 2/20 0.37
TSHR P16473 1/20 0.37
NEK2 P51955 1/20 0.37
CYP3A4 P08684 2/20 0.36
TP53 P04637 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
POLB P06746 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL14417823 0.79 CYP2D6 (0.44) CYP2D6SMN1; SMN2CYP2C19CYP2C9MEN1
SCHEMBL15232200 0.76 KMT2A (0.42) SMN1; SMN2CYP2C19KMT2ACYP1A2ALDH1A1
SCHEMBL13819915 0.76 CYP2D6 (0.46) CYP2D6SMN1; SMN2CYP2C19CYP2C9MEN1
SCHEMBL598110 0.75
SCHEMBL3998460 0.75 FFAR3 (0.52) CYP2D6SMN1; SMN2CYP2C19CYP2C9MEN1
SCHEMBL18044505 0.75 KMT2A (0.35) SMN1; SMN2CYP2C19KMT2ACYP1A2ALDH1A1
SCHEMBL26054136 0.72 CYP2D6 (0.42) CYP2D6SMN1; SMN2CYP2C19CYP2C9MEN1
SCHEMBL25613288 0.72 CYP2D6 (0.42) CYP2D6SMN1; SMN2CYP2C19CYP2C9MEN1
SCHEMBL26053280 0.72 CYP2D6 (0.42) CYP2D6SMN1; SMN2CYP2C19CYP2C9MEN1
SCHEMBL17970231 0.71 ALDH1A1 (0.44) CYP2D6SMN1; SMN2CYP2C19CYP2C9ALOX15

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-0993460-B1 BENZO(5,6)CYCLOHEPTA(1,2B)PYRIDINE DERIVATIVES USEFUL FOR INHIBITION OF FARNESYL PROTEIN TRANSFERASE SCHERING CORP (US) 2004-09-15 EP disclosed
EP-0993460-A1 BENZO(5,6)CYCLOHEPTA(1,2B)PYRIDINE DERIVATIVES USEFUL FOR INHIBITION OF FARNESYL PROTEIN TRANSFERASE SCHERING CORPORATION (US) 2000-04-19 EP disclosed
US-6051582-A ANTITUMOR, ANTICANCER AGENTS SCHERING CORPORATION (US) 2000-04-18 US disclosed
WO-1998057962-A1 BENZO(5,6)CYCLOHEPTA(1,2B)PYRIDINE DERIVATIVES USEFUL FOR INHIBITION OF FARNESYL PROTEIN TRANSFERASE SCHERING CORPORATION (US) 1998-12-23 WO disclosed