SCHEMBL11644693

SCHEMBL11644693

CCc1ccc(-c2nc(-c3ccccc3)c[nH]2)cc1CC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
SGK1 O00141 1/20 0.39
CAMKK2 Q96RR4 1/20 0.39
PDGFRB P09619 1/20 0.39
GSK3B P49841 1/20 0.38
XDH P47989 3/20 0.37
ADORA3 P0DMS8 2/20 0.37
ADORA2A P29274 2/20 0.37
ADORA1 P30542 2/20 0.37
ALDH1A1 P00352 3/20 0.36
MAPT P10636 3/20 0.36
GAA P10253 2/20 0.36
ADORA2B P29275 1/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL17280181 0.79 MEN1 (0.43) SMN1; SMN2PDGFRBGSK3BXDHADORA2A
SCHEMBL17279786 0.79 MEN1 (0.46) SMN1; SMN2PDGFRBGSK3BADORA3ADORA2A
SCHEMBL17280174 0.79 METAP2 (0.41) SMN1; SMN2PDGFRBALDH1A1MAPTGAA
SCHEMBL17280243 0.78 CYP1A1 (0.49) SMN1; SMN2PDGFRBGSK3BADORA2AADORA1
SCHEMBL7139559 0.77 HPGDS (0.43) SMN1; SMN2GSK3BXDHALDH1A1MAPT
SCHEMBL4847155 0.77 HPGDS (0.43) SMN1; SMN2GSK3BXDHALDH1A1MAPT
SCHEMBL528246 0.77 MEN1 (0.46) SMN1; SMN2PDGFRBGSK3BADORA2AADORA1
SCHEMBL5128314 0.76 CYP1A1 (0.56) SMN1; SMN2PDGFRBADORA2AADORA1ALDH1A1
SCHEMBL31305440 0.76 CYP1A1 (0.56) SMN1; SMN2PDGFRBADORA2AADORA1ALDH1A1
SCHEMBL31660297 0.76 CA12 (0.47) SMN1; SMN2ALDH1A1ADORA2BKDM4EHPGD

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
EP-0000208-A1 Process for the preparation of imidazoles BASF Aktiengesellschaft (DE) 1979-01-10 EP disclosed