SCHEMBL16616912

SCHEMBL16616912

CCCN(CCCC#N)c1cccc(N)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
THRB P10828 1/20 0.37
KMT2A Q03164 1/20 0.37
HTR7 P34969 1/20 0.36
TSHR P16473 2/20 0.34
SLC16A3 O15427 2/20 0.33
SLC16A1 P53985 2/20 0.33
KCNN4 O15554 1/20 0.33
KCNA5 P22460 1/20 0.33
DRD3 P35462 1/20 0.33
TP53 P04637 2/20 0.32
NPC1 O15118 1/20 0.32
ALOX15 P16050 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CYP3A4 P08684 2/20 0.32
CRHR1 P34998 1/20 0.32

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
SCHEMBL15263454 0.96 KDM4E (0.36) ALDH1A1KDM4EMEN1THRBKMT2A
SCHEMBL15263495 0.90 ALDH1A1 (0.43) ALDH1A1KDM4EMEN1THRBKMT2A
SCHEMBL15263347 0.86 ALDH1A1 (0.42) ALDH1A1KDM4EMEN1THRBKMT2A
SCHEMBL16617357 0.85 TSHR (0.42) ALDH1A1KDM4EHTR7TSHRTP53
SCHEMBL10139683 0.84 CYP3A4 (0.42) ALDH1A1HTR7TSHRTP53CYP3A4
SCHEMBL11805111 0.83 ALDH1A1 (0.39) ALDH1A1KDM4EMEN1THRBKMT2A
SCHEMBL1498625 0.81 TSHR (0.45) ALDH1A1KDM4EHTR7TSHRTP53
SCHEMBL15264299 0.81 ALDH1A1 (0.47) ALDH1A1KDM4EMEN1THRBKMT2A
SCHEMBL3664908 0.80 TSHR (0.47) ALDH1A1KDM4EHTR7TSHRTP53
SCHEMBL1498662 0.79 TSHR (0.50) ALDH1A1KDM4ETSHRDRD3TP53

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