SCHEMBL11242935

SCHEMBL11242935

COC(=O)c1ccc(NCc2ccc(F)cc2)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.75
CA2 P00918 4/20 0.75
MEN1 O00255 4/20 0.65
KMT2A Q03164 4/20 0.65
MAPK1 P28482 2/20 0.65
MAPT P10636 4/20 0.62
NPC1 O15118 3/20 0.62
RAB9A P51151 3/20 0.62
HTT P42858 1/20 0.62
ATM Q13315 1/20 0.60
POLB P06746 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.55
LMNA P02545 1/20 0.55
HPGD P15428 1/20 0.55
ALDH1A1 P00352 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
HKDC1 Q2TB90 1/20 0.52
LOXL2 Q9Y4K0 1/20 0.51
P4HTM Q9NXG6 1/20 0.51
KDM4E B2RXH2 1/20 0.51

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
SCHEMBL15761719 1.00 CA1 (0.75) CA1CA2MEN1KMT2AMAPK1
SCHEMBL20183470 0.96 CA1 (0.69) CA1CA2MEN1KMT2AMAPK1
SCHEMBL13934091 0.92 CA1 (0.87) CA1CA2MEN1KMT2AMAPT
SCHEMBL11247013 0.87 MAPT (0.71) CA1CA2MEN1KMT2AMAPK1
SCHEMBL11253516 0.86 MEN1 (0.63) CA1CA2MEN1KMT2AMAPK1
SCHEMBL17618029 0.86 CA1 (0.77) CA1CA2MEN1KMT2AMAPK1
SCHEMBL12051728 0.86 CA1 (1.00) CA1CA2MEN1KMT2AMAPK1
SCHEMBL185028 0.85 MEN1 (0.61) CA1CA2MEN1KMT2AMAPK1
SCHEMBL11240016 0.84 CA1 (0.75) CA1CA2MEN1KMT2AMAPT
SCHEMBL16211427 0.84 CA1 (0.75) CA1CA2MEN1KMT2AMAPK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4362892-A ARALKYLANILINES, ANTICHOLESTEROL AGENTS BEECHAM GROUP LIMITED (GB) 1982-12-07 US disclosed
US-4271188-A SUBSTITUTED ARALKYLANILINES BEECHAM GROUP LIMITED (GB) 1981-06-02 US disclosed
US-4206145-A ALKANOYL-SUBSTITUTED ARALKYLAMINES BEECHAM GROUP LIMITED (GB) 1980-06-03 US disclosed