SCHEMBL9710352

SCHEMBL9710352

CCCCc1ncsc1Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
KCNH2 Q12809 4/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 4/20 0.41
ALDH1A1 P00352 2/20 0.41
RAB9A P51151 2/20 0.40
MAPK1 P28482 1/20 0.40
ACHE P22303 1/20 0.39
TSHR P16473 1/20 0.38
NPC1 O15118 1/20 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
Propionic Acid SCHEMBL9710300 0.85 MAPT (0.43) POLBKCNH2MEN1KMT2AMAPT
SCHEMBL9710287 0.80 POLB (0.46) POLBPDE4APDE4BPDE4CPDE4D
SCHEMBL9457601 0.76 KCNH2 (0.47) POLBPDE4APDE4BPDE4CPDE4D
SCHEMBL9457581 0.74 KCNH2 (0.45) POLBPDE4APDE4BPDE4CPDE4D
SCHEMBL4737258 0.74 KCNH2 (0.67) KCNH2MAPTALDH1A1TSHR
Ammonia Solution, Strong SCHEMBL18045530 0.72 KCNH2 (0.65) KCNH2MAPTALDH1A1RAB9ATSHR
SCHEMBL9457404 0.71 MEN1 (0.44) POLBPDE4APDE4BPDE4CPDE4D
SCHEMBL9710262 0.71 TSHR (0.39) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL9457465 0.69 POLB (0.42) POLBMEN1KMT2AMAPTALDH1A1
SCHEMBL680595 0.69 KCNH2 (0.74) KCNH2MEN1KMT2AMAPTALDH1A1

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
WO-1992021666-A1 ANGIOTENSIN II RECEPTOR ANTAGONIST THIAZOLE DEVIVATIVES LABORATOIRES UPSA (FR) 1992-12-10 WO disclosed