SCHEMBL14344005

SCHEMBL14344005

CC[C@@H](CC1CC1)NCc1ccccc1NS(=O)(=O)c1ccc2nc(N)sc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
LMNA P02545 4/20 0.44
PKM P14618 3/20 0.44
MAPT P10636 4/20 0.42
HSD17B10 Q99714 2/20 0.42
HTT P42858 2/20 0.42
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP2D6 P10635 2/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 3/20 0.40
KDM4E B2RXH2 2/20 0.40
KMT2A Q03164 1/20 0.40
ILK Q13418 2/20 0.38
AKT1 P31749 1/20 0.38
PIK3CA P42336 1/20 0.38
MTOR P42345 1/20 0.38
ATM Q13315 1/20 0.37
GLO1 Q04760 1/20 0.37
VDR P11473 1/20 0.37

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
SCHEMBL4194631 0.90 ALDH1A1 (0.46) ALDH1A1LMNAPKMMAPTHSD17B10
SCHEMBL4197657 0.86 ALDH1A1 (0.44) ALDH1A1LMNAPKMMAPTHSD17B10
SCHEMBL4186018 0.86 ALDH1A1 (0.43) ALDH1A1LMNAPKMMAPTHSD17B10
SCHEMBL4200050 0.83 ALDH1A1 (0.41) ALDH1A1LMNAPKMMAPTHSD17B10
SCHEMBL4192953 0.79 MAPT (0.47) ALDH1A1LMNAPKMMAPTHSD17B10
SCHEMBL4194915 0.76 ALDH1A1 (0.44) ALDH1A1LMNAPKMMAPTHTT
SCHEMBL4190737 0.76 ALDH1A1 (0.43) ALDH1A1LMNAPKMMAPTHTT
SCHEMBL4193911 0.74 ALDH1A1 (0.43) ALDH1A1LMNAPKMMAPTHTT
SCHEMBL4192343 0.73 ALDH1A1 (0.47) ALDH1A1LMNAPKMHSD17B10HTT
SCHEMBL4192945 0.73 ALDH1A1 (0.48) ALDH1A1LMNAPKMMAPTHSD17B10

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
EP-1879877-B1 ANTIMICROBIAL AGENTS RANBAXY LAB LTD (IN) 2013-01-02 EP claimed