SCHEMBL19901698

SCHEMBL19901698

Cc1ccc(N(c2ccc(N(c3ccc(C)cc3)c3c(C)cc(C(C)(C)C)cc3C)cc2)c2c(C)cc(C)cc2C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
POLB P06746 1/20 0.38
ALDH1A1 P00352 1/20 0.37
RAPGEF4 Q8WZA2 2/20 0.34
HCRTR2 O43614 1/20 0.34
RAB9A P51151 2/20 0.33
HTR1D P28221 2/20 0.33
RXRB P28702 2/20 0.33
RXRA P19793 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
HSD17B2 P37059 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
HPGD P15428 1/20 0.31
TDP1 Q9NUW8 2/20 0.31
FFAR4 Q5NUL3 1/20 0.31
ACHE P22303 1/20 0.31
HTR1B P28222 1/20 0.31
HDAC8 Q9BY41 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
SCHEMBL12018768 0.96 TSHR (0.50) TSHRPOLBALDH1A1HCRTR2RAB9A
SCHEMBL2607267 0.96 TSHR (0.50) TSHRPOLBALDH1A1HCRTR2RAB9A
SCHEMBL14981042 0.92 TSHR (0.58) TSHRPOLBALDH1A1HCRTR2RAB9A
SCHEMBL12018769 0.91 TSHR (0.45) TSHRPOLBALDH1A1HCRTR2RAB9A
SCHEMBL15854846 0.91 TSHR (0.45) TSHRPOLBALDH1A1HCRTR2RAB9A
SCHEMBL16615379 0.90 TSHR (0.48) TSHRPOLBALDH1A1HCRTR2RAB9A
SCHEMBL13010224 0.89 TSHR (0.43) TSHRPOLBALDH1A1HCRTR2RAB9A
SCHEMBL10354394 0.89 TSHR (0.43) TSHRPOLBALDH1A1HCRTR2RAB9A
SCHEMBL6716792 0.89 CYP2D6 (0.37) TSHRPOLBALDH1A1RAB9AHTR1D
SCHEMBL12018763 0.88 ALDH1A1 (0.46) TSHRALDH1A1RAPGEF4MAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9905767-B2 High-molecular compound and light-emitting element using same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-02-27 US disclosed