SCHEMBL9250447

SCHEMBL9250447

S=C(S)n1nc(N2CCOCC2)nc1NCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.57
ALDH1A1 P00352 2/20 0.52
LMNA P02545 2/20 0.52
ACHE P22303 1/20 0.52
GAA P10253 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
PDE5A O76074 1/20 0.51
PKM P14618 2/20 0.50
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
PIK3CB P42338 11/20 0.47
PIK3CA P42336 5/20 0.47
TSHR P16473 1/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46

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 0.89 CYP11B2 (0.53) HTTALDH1A1LMNAACHEGAA
SCHEMBL9257701 0.86 MAPT (0.43) HTTALDH1A1LMNAACHEGAA
SCHEMBL9281018 0.75 CYP11B2 (0.50) HTTALDH1A1LMNAACHEGAA
SCHEMBL27337797 0.74 ALDH1A1 (0.49) HTTALDH1A1LMNAACHEGAA
SCHEMBL9250057 0.74 HTT (0.53) HTTALDH1A1LMNAACHEGAA
SCHEMBL9250295 0.73 HTT (0.52) HTTALDH1A1LMNAACHEGAA
SCHEMBL9253628 0.72 HTT (0.50) HTTALDH1A1LMNAACHEGAA
SCHEMBL9258593 0.69 GAA (0.41) HTTALDH1A1LMNAGAASMN1; SMN2
SCHEMBL27337796 0.69 HTT (0.49) HTTALDH1A1LMNAACHEGAA
SCHEMBL13219099 0.69 LMNA (1.00) HTTALDH1A1LMNAACHEGAA

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-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
EP-0425283-A2 Novel triazolyl hydrazide derivatives and process for their preparation EGIS GYOGYSZERGYAR (HU) 1991-05-02 EP disclosed