SCHEMBL9402280

SCHEMBL9402280

CCSc1nnc(-c2ccccc2)n1Cc1ccc(N)cc1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.70
ALDH1A1 P00352 5/20 0.55
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
TSHR P16473 4/20 0.55
LMNA P02545 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
HTT P42858 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.48
GAA P10253 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
RAB9A P51151 1/20 0.46
ALOX15 P16050 1/20 0.46
MAPK1 P28482 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
SCHEMBL9402213 0.82 KDM4E (0.63) KDM4EALDH1A1MEN1KMT2ATSHR
SCHEMBL6406195 0.82 KDM4E (0.74) KDM4EALDH1A1MEN1KMT2ATSHR
SCHEMBL11512754 0.81 KDM4E (0.56) KDM4EALDH1A1MEN1KMT2ATSHR
SCHEMBL3915525 0.77 ALDH1A1 (0.67) KDM4EALDH1A1MEN1KMT2ATSHR
SCHEMBL9402329 0.76
SCHEMBL9767534 0.76 MEN1 (0.45) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL23334055 0.75 KDM4E (0.58) KDM4EMEN1KMT2ATSHRSMN1; SMN2
SCHEMBL3910599 0.75 ALDH1A1 (0.60) KDM4EALDH1A1MEN1KMT2ATSHR
SCHEMBL9402332 0.75 CYP3A4 (0.60) KDM4EALDH1A1MEN1KMT2ATSHR
SCHEMBL9402303 0.74 KDM4E (0.41) KDM4EALDH1A1MEN1KMT2ATSHR

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-5336778-A Substituted triazoles as angiotensin II antagonists MERCK & CO., INC. (US) 1994-08-09 US disclosed
EP-0409332-A2 Substituted triazoles as angiotensin II antagonists MERCK & CO. INC. (US) 1991-01-23 EP disclosed