SCHEMBL11126752

SCHEMBL11126752

CCN(CC)c1ccc(C(NC(=O)NC(c2ccc(N(CC)CC)cc2)c2ccc(N(CC)CC)cc2)c2ccc(N(CC)CC)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.65
TSHR P16473 1/20 0.65
CNR2 P34972 10/20 0.62
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
NOX1 Q9Y5S8 2/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
MAPT P10636 3/20 0.49
GAA P10253 3/20 0.49
POLB P06746 2/20 0.49
MCL1 Q07820 1/20 0.49
KDM4E B2RXH2 2/20 0.45
GFER P55789 2/20 0.45
GLA P06280 1/20 0.45
HPGD P15428 1/20 0.45
CNR1 P21554 2/20 0.45

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
SCHEMBL10705448 0.80 ALOX5 (0.59) ALDH1A1TSHRCNR2MEN1KMT2A
SCHEMBL5010140 0.77 ALDH1A1 (0.53) ALDH1A1TSHRCNR2MEN1KMT2A
SCHEMBL15064560 0.77 CNR2 (1.00) ALDH1A1TSHRCNR2MEN1KMT2A
SCHEMBL15064748 0.75 CNR2 (1.00) ALDH1A1TSHRCNR2MEN1KMT2A
SCHEMBL8807915 0.74 ALDH1A1 (0.59) ALDH1A1TSHRCNR2MEN1KMT2A
SCHEMBL10954413 0.74 ALDH1A1 (0.54) ALDH1A1TSHRCNR2MEN1KMT2A
SCHEMBL10316495 0.73 ALDH1A1 (0.58) ALDH1A1TSHRCNR2MEN1KMT2A
SCHEMBL14557293 0.73 ALDH1A1 (0.57) ALDH1A1TSHRCNR2MEN1KMT2A
SCHEMBL4116469 0.72 ALDH1A1 (0.56) ALDH1A1TSHRCNR2MEN1KMT2A
SCHEMBL131813 0.72 ALDH1A1 (0.56) ALDH1A1TSHRCNR2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0057661-B1 PROCESS FOR THE PRODUCTION OF LEUCO TRIARYL METHANE COMPOUNDS CIBA-GEIGY AG (CH) 1984-11-14 EP disclosed
EP-0057661-A2 Process for the production of leuco triaryl methane compounds CIBA-GEIGY AG (CH) 1982-08-11 EP disclosed