SCHEMBL25302086

SCHEMBL25302086

c1ccc2c(-c3cccc4ccccc34)cccc2c1.c1ccc2c(-c3cccc4ccccc34)cccc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.59
HSD17B10 Q99714 7/20 0.59
TSHR P16473 5/20 0.59
CYP2A6 P11509 3/20 0.59
TDP1 Q9NUW8 2/20 0.59
HPRT1 P00492 1/20 0.53
HPGD P15428 4/20 0.52
CYP1A2 P05177 3/20 0.52
CYP3A4 P08684 1/20 0.52
KEAP1 Q14145 1/20 0.52
MAPK1 P28482 3/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
ATM Q13315 2/20 0.50
KDM4E B2RXH2 2/20 0.50
PTPN1 P18031 1/20 0.50
ALPL P05186 1/20 0.50
GAA P10253 1/20 0.50
NISCH Q9Y2I1 1/20 0.48
POLB P06746 1/20 0.48
HIF1A Q16665 2/20 0.48

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
SCHEMBL29350007 1.00 ALDH1A1 (0.59) ALDH1A1HSD17B10TSHRCYP2A6TDP1
SCHEMBL27953 1.00 ALDH1A1 (0.59) ALDH1A1HSD17B10TSHRCYP2A6TDP1
Hydrochloric Acid SCHEMBL4268575 0.97 ALDH1A1 (0.56) ALDH1A1HSD17B10TSHRCYP2A6TDP1
SCHEMBL2638067 0.97 ALDH1A1 (0.56) ALDH1A1HSD17B10TSHRCYP2A6TDP1
Phosphine SCHEMBL6665557 0.97 ALDH1A1 (0.56) ALDH1A1HSD17B10TSHRCYP2A6TDP1
Ammonia Solution, Strong SCHEMBL3156160 0.97 ALDH1A1 (0.56) ALDH1A1HSD17B10TSHRCYP2A6TDP1
SCHEMBL6077039 0.97 ALDH1A1 (0.56) ALDH1A1HSD17B10TSHRCYP2A6TDP1
Bromide SCHEMBL7106161 0.97 ALDH1A1 (0.56) ALDH1A1HSD17B10TSHRCYP2A6TDP1
SCHEMBL17836548 0.97 ALDH1A1 (0.56) ALDH1A1HSD17B10TSHRCYP2A6TDP1
Bromide SCHEMBL8588309 0.97 ALDH1A1 (0.56) ALDH1A1HSD17B10TSHRCYP2A6TDP1

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-20230228745-A1 WATER-SOLUBLE II-CONJUGATED FLUORESCENT 1,1 -BINAPHTHYL-BASED POLYMERS WITH TUNEABLE ABSORPTION Miltenyi Biotec B.V. & Co. KG (DE) 2023-07-20 US disclosed