SCHEMBL9583182

SCHEMBL9583182

O=C(O)c1ccc(/C=C/c2ccnc3ccccc23)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.69
KMT2A Q03164 6/20 0.69
MAPT P10636 5/20 0.69
ALDH1A1 P00352 5/20 0.69
HPGD P15428 4/20 0.69
HTT P42858 2/20 0.69
LMNA P02545 1/20 0.69
CASP3 P42574 1/20 0.69
SENP7 Q9BQF6 1/20 0.69
MAPK1 P28482 3/20 0.60
NPC1 O15118 3/20 0.60
RAB9A P51151 3/20 0.60
GAA P10253 2/20 0.60
CYP1A2 P05177 3/20 0.57
HSD17B10 Q99714 2/20 0.57
NQO2 P16083 1/20 0.57
ATG4B Q9Y4P1 1/20 0.55
ATM Q13315 2/20 0.53
KDM4E B2RXH2 3/20 0.52
CYP2C19 P33261 2/20 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
SCHEMBL9582042 1.00 MEN1 (0.69) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL8854388 1.00 MEN1 (0.69) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL3174845 0.85 ALDH1A1 (0.76) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL3174841 0.85 ALDH1A1 (0.76) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL9582512 0.84 ALDH1A1 (0.63) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL9583330 0.84 ALDH1A1 (0.63) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL9582521 0.84 ALDH1A1 (0.63) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL9394660 0.82 ALDH1A1 (0.72) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL10324934 0.82 ALDH1A1 (1.00) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL10324933 0.82 ALDH1A1 (1.00) MEN1KMT2AMAPTALDH1A1HPGD

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
US-5212182-A Substituted quinolinyl- and naphthalenylbenzamides or benzylamines and related compounds useful as analgesics AMERICAN HOME PRODUCTS CORPOORATION (US) 1993-05-18 US disclosed