SCHEMBL9080452

SCHEMBL9080452

c1ccc(CNCc2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
TDP1 Q9NUW8 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.60
ALDH1A1 P00352 2/20 0.58
CYP1A2 P05177 1/20 0.58
CYP2D6 P10635 1/20 0.58
LMNA P02545 2/20 0.56
BCHE P06276 1/20 0.55
MAOA P21397 1/20 0.54
RAB9A P51151 2/20 0.53
TAAR1 Q96RJ0 1/20 0.52
CHRM2 P08172 1/20 0.52
GAA P10253 1/20 0.52
MAPT P10636 1/20 0.52
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
HTT P42858 1/20 0.52

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
Biphenyl SCHEMBL6360803 0.95 MEN1 (0.67) MEN1KMT2ATDP1SMN1; SMN2ALDH1A1
SCHEMBL10054993 0.89 MEN1 (0.74) MEN1KMT2ATDP1BCHEMAOA
SCHEMBL9320030 0.88 MEN1 (0.58) MEN1KMT2ATDP1SMN1; SMN2ALDH1A1
SCHEMBL16812954 0.88 SMN1; SMN2 (0.75) MEN1KMT2ATDP1SMN1; SMN2ALDH1A1
SCHEMBL15417039 0.87 LMNA (0.59) MEN1KMT2ASMN1; SMN2ALDH1A1CYP1A2
SCHEMBL17447224 0.87 HTT (0.57) MEN1KMT2ATDP1SMN1; SMN2ALDH1A1
Benzene SCHEMBL11697595 0.87 MEN1 (0.78) MEN1KMT2ATDP1BCHEMAOA
SCHEMBL5799878 0.87 MEN1 (0.78) MEN1KMT2ATDP1BCHEMAOA
SCHEMBL1654 0.87 MEN1 (0.78) MEN1KMT2ATDP1BCHEMAOA
SCHEMBL10133040 0.85 GAA (0.77) MEN1KMT2ATDP1SMN1; SMN2ALDH1A1

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-1996034851-A1 BENZENE, PYRIDINE, NAPHTALENE OR BENZOPHENONE DERIVATIVES AS INHIBITORS OF SQUALENE SYNTHETASE AND PROTEIN FARNESYLTRANSFERASE ABBOTT LABORATORIES (US) 1996-11-07 WO disclosed