SCHEMBL9257701

SCHEMBL9257701

CN(C)c1ccc(CNc2nc(N3CCOCC3)nn2C(=S)S)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
TDP1 Q9NUW8 3/20 0.43
RAB9A P51151 3/20 0.43
LMNA P02545 3/20 0.43
MAPK1 P28482 3/20 0.43
F2 P00734 1/20 0.43
HTT P42858 3/20 0.41
PKM P14618 2/20 0.41
NPC1 O15118 2/20 0.41
ALDH1A1 P00352 4/20 0.39
CYP11B2 P19099 1/20 0.39
GAA P10253 6/20 0.38
ACHE P22303 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 2/20 0.38
TSHR P16473 1/20 0.38
PDE5A O76074 1/20 0.38
PIK3CB P42338 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
SCHEMBL9473324 0.86 CYP11B2 (0.53) SMN1; SMN2LMNAHTTPKMALDH1A1
SCHEMBL9250447 0.86 HTT (0.57) SMN1; SMN2LMNAHTTPKMALDH1A1
SCHEMBL9281018 0.76 CYP11B2 (0.50) SMN1; SMN2LMNAHTTPKMALDH1A1
SCHEMBL27330067 0.71 CYP11B2 (0.46) SMN1; SMN2LMNAHTTPKMALDH1A1
SCHEMBL27337797 0.71 ALDH1A1 (0.49) SMN1; SMN2LMNAHTTPKMALDH1A1
SCHEMBL9253628 0.66 HTT (0.50) SMN1; SMN2LMNAHTTPKMALDH1A1
SCHEMBL9258593 0.66 GAA (0.41) SMN1; SMN2LMNAMAPK1HTTALDH1A1
SCHEMBL9256497 0.64 CYP11B2 (0.48) SMN1; SMN2LMNAHTTPKMALDH1A1
SCHEMBL9471997 0.62 RAB9A (0.42) MAPTSMN1; SMN2RAB9ALMNAMAPK1
SCHEMBL27330065 0.62 CYP11B2 (0.46) MAPTSMN1; SMN2TDP1LMNAMAPK1

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
EP-0425283-B1 Novel triazolyl hydrazide derivatives and process for their preparation EGYT GYOGYSZERVEGYESZETI GYAR (HU) 1995-05-10 EP disclosed
US-5225410-A Antiangina, antiulcer agents EGIS GYOGYSZERGYAR (HU) 1993-07-06 US disclosed