SCHEMBL28610593

SCHEMBL28610593

CCCC(Cn1nc2ccccc2n1)c1ccccc1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
ALDH1A1 P00352 4/20 0.33
MAPT P10636 2/20 0.33
MAPK1 P28482 2/20 0.33
ALOX15 P16050 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 2/20 0.32
POLB P06746 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
HPGD P15428 2/20 0.32
HSD17B10 Q99714 2/20 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
SCHEMBL983828 0.79 TSHR (0.57) TSHRGABRA1GABRB2ALDH1A1MAPT
SCHEMBL982520 0.76 TSHR (0.59) TSHRGABRA1GABRB2ALDH1A1MAPT
SCHEMBL175462 0.74 CSNK2A1 (0.39) TSHRALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL26696609 0.74 TSHR (0.52) TSHRGABRA1GABRB2ALDH1A1MAPT
SCHEMBL30628000 0.73 TSHR (0.50) TSHRGABRA1GABRB2ALDH1A1MAPT
SCHEMBL177521 0.73 TSHR (0.50) TSHRGABRA1GABRB2ALDH1A1MAPT
SCHEMBL28930460 0.72 TSHR (0.42) TSHRGABRA1GABRB2ALDH1A1MAPT
SCHEMBL5422365 0.71 TSHR (0.48) TSHRGABRA1GABRB2ALDH1A1MAPT
SCHEMBL981560 0.71 TSHR (0.48) TSHRGABRA1GABRB2ALDH1A1MAPT
SCHEMBL6570736 0.71 TSHR (0.53) TSHRGABRA1GABRB2ALDH1A1MAPT

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
CN-108431136-B Polyimide material, method for producing same, and polyimide precursor composition used for production thereof 宇部兴产株式会社 2021-07-30 CN disclosed