SCHEMBL16618016

SCHEMBL16618016

CCCN(CCOCC)c1cccc(N)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.42
CYP3A4 P08684 4/20 0.40
TP53 P04637 2/20 0.40
TSHR P16473 1/20 0.39
NCF1 P14598 3/20 0.34
SYK P43405 1/20 0.34
ALDH1A1 P00352 3/20 0.33
HTR7 P34969 1/20 0.33
MAPT P10636 2/20 0.33
CASP1 P29466 2/20 0.32
RECQL P46063 1/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
HTT P42858 1/20 0.31
CASP7 P55210 1/20 0.31

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
SCHEMBL10139683 0.87 CYP3A4 (0.42) CYP3A4TP53TSHRSYKALDH1A1
SCHEMBL16618104 0.86 TSHR (0.40) CYP3A4TP53TSHRNCF1ALDH1A1
SCHEMBL16618015 0.85 TLR8 (0.36) ALOX15CYP3A4TP53TSHRSYK
SCHEMBL27991423 0.82 CYP3A4 (0.40) ALOX15CYP3A4TP53TSHRSYK
SCHEMBL16617357 0.81 TSHR (0.42) CYP3A4TP53TSHRALDH1A1HTR7
SCHEMBL16617470 0.81 TSHR (0.41) CYP3A4TP53TSHRALDH1A1HTR7
SCHEMBL16617493 0.80 CYP3A4 (0.47) CYP3A4TP53TSHRSYKALDH1A1
SCHEMBL10350091 0.79 CYP3A4 (0.41) CYP3A4TP53TSHRNCF1SYK
SCHEMBL11786291 0.78 ALOX15 (0.46) ALOX15CYP3A4TP53ALDH1A1MAPT
SCHEMBL1498625 0.77 TSHR (0.45) CYP3A4TP53TSHRALDH1A1HTR7

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
EP-2828339-B1 CARBOXYLATE DYES MILLIKEN & CO (US) 2018-10-31 EP disclosed
US-9187717-B2 Carboxylate dyes MILLIKEN & COMPANY (US) 2015-11-17 US disclosed
US-20150099869-A1 Carboxylate Dyes MILLIKEN & COMPANY 2015-04-09 US disclosed