SCHEMBL9872854

SCHEMBL9872854

Nc1cccc(CCn2cnnn2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.47
MAOB P27338 2/20 0.47
CYP19A1 P11511 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.46
SIGMAR1 Q99720 2/20 0.44
HMOX1 P09601 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40
MAPT P10636 2/20 0.40
HTR1A P08908 2/20 0.39
POLB P06746 1/20 0.39
THRB P10828 1/20 0.39
TP53 P04637 1/20 0.38
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL2163185 0.84 L3MBTL1 (0.50) MAOAMAOBCYP19A1MEN1ALDH1A1
SCHEMBL6880513 0.80 MEN1 (0.52) MAOAMAOBMEN1ALDH1A1KMT2A
SCHEMBL27706311 0.80 HMOX1 (0.59) MEN1ALDH1A1KMT2AHMOX1HRH3
SCHEMBL29436994 0.71 MAOB (0.86) MAOAMAOBCYP19A1ALDH1A1SIGMAR1
SCHEMBL2154372 0.71 MAOB (0.86) MAOAMAOBCYP19A1ALDH1A1SIGMAR1
SCHEMBL29788842 0.70 RAB9A (0.52) MAOACYP19A1MEN1ALDH1A1KMT2A
SCHEMBL28179532 0.70 MEN1 (0.52) MEN1ALDH1A1KMT2AHMOX1HRH3
SCHEMBL6880509 0.70 ALDH1A1 (0.52) MEN1ALDH1A1KMT2AHMOX1HRH3
SCHEMBL29788848 0.70 HMOX1 (0.56) MEN1ALDH1A1KMT2ASIGMAR1HMOX1
SCHEMBL10555599 0.69 MAOB (0.57) MAOAMAOBCYP19A1SIGMAR1CYP11B1

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-1991017150-A1 TETRAZOLE UREA AND THIOUREA ACAT INHIBITORS WARNER-LAMBERT COMPANY (US) 1991-11-14 WO disclosed