SCHEMBL11380866

SCHEMBL11380866

CCOc1cc(N(CC)CC)ccc1C1(N(c2ccccc2)c2ccc(NC(C)=O)cc2)OC(=O)c2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
LMNA P02545 3/20 0.39
MAPT P10636 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CNR2 P34972 1/20 0.38
TDP1 Q9NUW8 3/20 0.37
HPGD P15428 1/20 0.37
CYP3A4 P08684 1/20 0.37
RORC P51449 1/20 0.36
PDK2 Q15119 1/20 0.36
POLB P06746 1/20 0.36
NPY1R P25929 1/20 0.36
NPY2R P49146 1/20 0.36
MCL1 Q07820 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
SCHEMBL11367233 0.88 NPC1 (0.41) NOX1MEN1KMT2ANPC1RAB9A
SCHEMBL11369427 0.86 NPC1 (0.40) NOX1MEN1KMT2ANPC1RAB9A
SCHEMBL11369724 0.84 CYP3A4 (0.42) MEN1KMT2ARAB9ALMNAMAPT
SCHEMBL11380867 0.80 PGR (0.37) NOX1MEN1KMT2ANPC1RAB9A
SCHEMBL11240578 0.79 CYP3A4 (0.36) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL11373444 0.79 CYP3A4 (0.38) MEN1KMT2AL3MBTL1CNR2TDP1
SCHEMBL11248860 0.77 KMT2A (0.33) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL11377384 0.77 CYP3A4 (0.47) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL11380886 0.76 RPS6KA2 (0.44) MEN1KMT2ARAB9ALMNAMAPT
SCHEMBL9482502 0.75 SMN1; SMN2 (0.42) MEN1KMT2ARAB9ALMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4255577-A Process and intermediates for preparing 3-[4-(disubstituted-amino)phenyl] or STERLING DRUG INC. (US) 1981-03-10 US disclosed
US-4200313-A Carbonless duplicating systems STERLING DRUG INC. (US) 1980-04-29 US disclosed
US-4187223-A 3-[4-(Disubstituted-amino)phenyl]-3-(diphenylamino)phthalides STERLING DRUG INC. (US) 1980-02-05 US disclosed
US-4168378-A THERMOGRAPHY, LEUCO DYES STERLING DRUG INC. (US) 1979-09-18 US disclosed