SCHEMBL5481073

SCHEMBL5481073

CN(C)c1ccc(-c2ncc(NCCCO)s2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 5/20 0.42
ALDH1A1 P00352 5/20 0.40
GAA P10253 3/20 0.40
KDM4E B2RXH2 3/20 0.40
MAPT P10636 3/20 0.40
HPGD P15428 3/20 0.40
GLA P06280 2/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
APP P05067 5/20 0.40
MGAM O43451 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
CYP1A2 P05177 5/20 0.38
CYP3A4 P08684 5/20 0.38
CYP2C19 P33261 5/20 0.38
HSD17B10 Q99714 3/20 0.38
LMNA P02545 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
SCHEMBL7644865 0.92 ALDH1A1 (0.42) SYKALDH1A1GAAKDM4EMAPT
SCHEMBL6365102 0.77 GLS (0.54) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL5487780 0.69 CCNE1 (0.53) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL26759054 0.68 GAA (0.46) ALDH1A1GAAKDM4EMAPTHPGD
SCHEMBL20645261 0.67 SNCA (0.51) ALDH1A1GAAKDM4EMAPTHPGD
SCHEMBL5151123 0.67 NUDT1 (0.42) SYKALDH1A1KDM4ESMN1; SMN2CYP1A2
SCHEMBL18667642 0.67 ALDH1A1 (0.44) ALDH1A1GAAKDM4EMAPTHPGD
Hydrochloric Acid SCHEMBL21229030 0.66 GAA (0.47) ALDH1A1GAAKDM4EMAPTHPGD
SCHEMBL15737242 0.66 IKBKE (0.59) ALDH1A1GAAKDM4EMAPTHPGD
SCHEMBL21229107 0.66 HDAC1 (0.43) ALDH1A1GAAKDM4EMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1204649-B1 ARYLMETHYL-CARBONYLAMINO-THIAZOLE DERIVATIVES AND THEIR USE AS ANTITUMOR AGENTS PFIZER ITALIA SRL (IT) 2007-10-17 EP disclosed
EP-1204649-A1 ARYLMETHYL-CARBONYLAMINO-THIAZOLE DERIVATIVES AND THEIR USE AS ANTITUMOR AGENTS Pharmacia Italia S.p.A. (IT) 2002-05-15 EP disclosed
WO-2001014353-A1 ARYLMETHYL-CARBONYLAMINO-THIAZOLE DERIVATIVES AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA, S.P.A. (IT) 2001-03-01 WO disclosed