SCHEMBL5745394

SCHEMBL5745394

Cc1cc2ccc3cc(N)cc4ccc(c1)c2c34

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.55
TSHR P16473 1/20 0.55
CYP2A6 P11509 4/20 0.46
CYP1A2 P05177 2/20 0.46
KDM4E B2RXH2 3/20 0.40
HSD17B10 Q99714 3/20 0.40
LMNA P02545 2/20 0.40
NCK1 P16333 1/20 0.40
BACE1 P56817 1/20 0.40
POLB P06746 1/20 0.40
CASP6 P55212 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
ACHE P22303 2/20 0.39
CYP3A4 P08684 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
MPO P05164 1/20 0.37
ALOX15 P16050 2/20 0.37
NOS3 P29474 1/20 0.37

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
SCHEMBL31040467 0.86 CYP3A4 (0.48) ALDH1A1TSHRCYP1A2KDM4EHSD17B10
SCHEMBL2820496 0.86 CYP3A4 (0.48) ALDH1A1TSHRCYP1A2KDM4EHSD17B10
SCHEMBL1760730 0.86 CYP1A2 (0.59) ALDH1A1TSHRCYP2A6CYP1A2KDM4E
SCHEMBL24255126 0.84 ALDH1A1 (0.39) ALDH1A1TSHRCYP2A6CYP1A2KDM4E
SCHEMBL1760714 0.76 CYP1A2 (0.61) ALDH1A1TSHRCYP2A6CYP1A2KDM4E
SCHEMBL5574510 0.76 CYP3A4 (0.61) ALDH1A1TSHRCYP1A2KDM4EHSD17B10
SCHEMBL29390075 0.76 CYP1A2 (0.61) ALDH1A1TSHRCYP2A6CYP1A2KDM4E
SCHEMBL5746596 0.75 ALDH1A1 (0.63) ALDH1A1TSHRCYP2A6CYP1A2KDM4E
SCHEMBL5748696 0.75 TDP1 (0.43) ALDH1A1TSHRCYP2A6CYP1A2KDM4E
SCHEMBL15590697 0.74 CYP2A6 (0.46) ALDH1A1CYP2A6CYP1A2KDM4ELMNA

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
WO-2020033173-A1 POLYMERIC TANDEM DYES HAVING PENDANT NARROW EMISSION ACCEPTOR BECTON, DICKINSON AND COMPANY (US) 2020-02-13 WO disclosed
WO-2018111774-A1 WATER-SOLUBLE POLYMERIC DYES BECTON, DICKINSON AND COMPANY (US) 2018-06-21 WO disclosed
US-20060293503-A1 Polyaminopyridines and method for producing same SUMITOMO SEIKA CHEMICALS CO., LTD (JP) 2006-12-28 US disclosed
EP-1669390-A1 POLYAMINOPYRIDINES AND METHOD FOR PRODUCING SAME SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2006-06-14 EP disclosed