SCHEMBL6772878

SCHEMBL6772878

CC1=C(C)N(CC(=O)c2ccccn2)C(C2SC(C)=C(C)N2CC(=O)N2CCCCC2C)S1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
ATM Q13315 1/20 0.43
MAPK1 P28482 2/20 0.42
RAB9A P51151 4/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
KDM4E B2RXH2 2/20 0.41
USP2 O75604 1/20 0.41
PABPC1 P11940 1/20 0.41
MAPT P10636 1/20 0.41
GAA P10253 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
TSHR P16473 2/20 0.39
CPT2 P23786 1/20 0.39
CPT1A P50416 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38

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
SCHEMBL6772875 0.72 ALDH1A1 (0.38) ALDH1A1ATMMAPK1RAB9AKMT2A
Bromide SCHEMBL5978880 0.67 ALDH1A1 (0.38) ALDH1A1ATMMAPK1RAB9AKMT2A
SCHEMBL5071273 0.66 CTNNB1 (0.45) ALDH1A1RAB9AKMT2AKDM4EGAA
Bromide SCHEMBL3843813 0.65 CTNNB1 (0.44) ALDH1A1RAB9AKMT2AKDM4EGAA
SCHEMBL30990025 0.65 KMT2A (0.48) ALDH1A1ATMMAPK1RAB9AKMT2A
SCHEMBL5071291 0.65 GAA (0.46) ALDH1A1ATMMAPK1RAB9AKMT2A
Hydrochloric Acid SCHEMBL3848956 0.64 GAA (0.46) ALDH1A1ATMMAPK1RAB9AKMT2A
SCHEMBL13280179 0.63 HPGD (0.74) ALDH1A1MAPK1RAB9AKDM4EGAA
SCHEMBL26125381 0.63 HPGD (0.74) ALDH1A1MAPK1RAB9AKDM4EGAA
SCHEMBL10067347 0.62 TSHR (0.64) ALDH1A1ATMMAPK1RAB9AKMT2A

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
US-6790859-B2 THERAPY OR REDUCING PROGRESSION OF HYPERTENSION OR DAMAGE TO A TISSUE CAUSED BY CONTACT WITH ELEVATED LEVELS OF REDUCING SUGARS IN AN ANIMAL, COMPRISING ADMINISTERING TO THE ANIMAL AN EFFECTIVE AMOUNT OF THIAZOLIUM COMPOUNDS ALTEON INCORPORATED 2004-09-14 US claimed