SCHEMBL9457601

SCHEMBL9457601

CCCCCc1nc(C)sc1Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
POLB P06746 1/20 0.44
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
RAB9A P51151 1/20 0.39
ACHE P22303 1/20 0.39
MAPT P10636 2/20 0.38
RIPK1 Q13546 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
SCHEMBL9710287 0.96 POLB (0.46) KCNH2MEN1KMT2APOLBALDH1A1
SCHEMBL9457581 0.88 KCNH2 (0.45) KCNH2MEN1KMT2APOLBALDH1A1
SCHEMBL9457404 0.84 MEN1 (0.44) KCNH2MEN1KMT2APOLBALDH1A1
SCHEMBL9457564 0.82 KDM4E (0.40) MEN1KMT2AALDH1A1SMN1; SMN2RAB9A
SCHEMBL9457465 0.79 POLB (0.42) MEN1KMT2APOLBALDH1A1HTT
SCHEMBL9457482 0.78 POLB (0.50) MEN1KMT2APOLBALDH1A1HTT
SCHEMBL9710527 0.77 MAPT (0.42) KCNH2MEN1KMT2APOLBSMN1; SMN2
SCHEMBL9710352 0.76 POLB (0.46) KCNH2MEN1KMT2APOLBALDH1A1
SCHEMBL9457589 0.75 ALDH1A1 (0.42) MEN1KMT2APOLBALDH1A1SMN1; SMN2
SCHEMBL9457594 0.75 POLB (0.39) MEN1KMT2APOLBALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5192781-A Cardiovascular LABORATOIRES UPSA (FR) 1993-03-09 US disclosed
WO-1992021666-A1 ANGIOTENSIN II RECEPTOR ANTAGONIST THIAZOLE DEVIVATIVES LABORATOIRES UPSA (FR) 1992-12-10 WO disclosed