SCHEMBL279376

SCHEMBL279376

Cc1ncsc1CCOCON(O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
CYP4F2 P78329 3/20 0.41
CYP4A11 Q02928 3/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 4/20 0.38
PPARG P37231 1/20 0.35
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
GAA P10253 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SLC6A3 Q01959 1/20 0.31

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
SCHEMBL10034423 0.87 ALDH1A1 (0.53) ALDH1A1KMT2AKDM4EMEN1LMNA
SCHEMBL24786623 0.77 ALDH1A1 (0.56) ALDH1A1KMT2AKDM4EMEN1LMNA
SCHEMBL14962386 0.76 ALDH1A1 (0.51) ALDH1A1KMT2AKDM4EMEN1LMNA
SCHEMBL6276328 0.76 ALDH1A1 (0.55) ALDH1A1KMT2AKDM4EMEN1LMNA
SCHEMBL16208323 0.74 ALDH1A1 (0.53) ALDH1A1KMT2AKDM4EMEN1LMNA
SCHEMBL16208321 0.74 ALDH1A1 (0.53) ALDH1A1KMT2AKDM4EMEN1LMNA
SCHEMBL16208309 0.74 ALDH1A1 (0.53) ALDH1A1KMT2AKDM4EMEN1LMNA
SCHEMBL260785 0.74 ALDH1A1 (0.50) ALDH1A1KMT2AKDM4EMEN1LMNA
SCHEMBL6259547 0.73 ALDH1A1 (0.60) ALDH1A1KMT2AKDM4EMEN1LMNA
SCHEMBL2608939 0.73 ALDH1A1 (0.51) ALDH1A1KMT2AKDM4EMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8134010-B2 4-[4-Methyl-5-(2-nitrooxy-ethyl)-thiazol-2-yl]-phenylamine; N-{4-[4-Methyl-5-(2-nitrooxy-ethyl)-thiazol-2-yl]-phenyl}-acetamide; or4-Methyl-5-(2-nitrooxy-ethyl)-2-(4-nitro-phenyl)-thiazole; cardiovascular, gastrointestinal, inflammatory, respiratory disease RENOPHARM LTD. (IL) 2012-03-13 US disclosed
US-7968575-B2 Nitric oxide donors and uses thereof RENOPHARM LTD. (IL) 2011-06-28 US disclosed
US-7579477-B2 Thiazole-based nitric oxide donors having alkyl substituent(s) and uses thereof RENOPHARM LTD. (IL) 2009-08-25 US disclosed
US-7498445-B2 Thiazole-based nitric oxide donors capable of releasing two or more nitric oxide molecules and uses thereof RENOPHARM LTD. (IL) 2009-03-03 US disclosed
US-7368577-B2 Thiazole-based nitric oxide donors having aryl substituent(s) and uses thereof RENOPHARM LTD. (IL) 2008-05-06 US disclosed
US-7332513-B2 Thiazole-based nitric oxide donors having acyl substituent(s) and uses thereof RENOPHARM LTD. (IL) 2008-02-19 US disclosed