SCHEMBL31474797

SCHEMBL31474797

Brc1cc2c3ccccc3[nH]c2c2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 6/20 0.55
ALDH1A1 P00352 3/20 0.50
HSD17B10 Q99714 3/20 0.50
GPR3 P46089 2/20 0.50
GABRP O00591 2/20 0.48
GABRD O14764 2/20 0.48
GABRA1 P14867 2/20 0.48
GABRB1 P18505 2/20 0.48
GABRG2 P18507 2/20 0.48
GABRB3 P28472 2/20 0.48
GABRA5 P31644 2/20 0.48
GABRA3 P34903 2/20 0.48
GABRA2 P47869 2/20 0.48
GABRB2 P47870 2/20 0.48
GABRA4 P48169 2/20 0.48
GABRE P78334 2/20 0.48
GABRA6 Q16445 2/20 0.48
GABRG1 Q8N1C3 2/20 0.48
GABRG3 Q99928 2/20 0.48
GABRQ Q9UN88 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
SCHEMBL15845424 1.00 KIF11 (0.55) KIF11ALDH1A1HSD17B10GPR3GABRP
SCHEMBL31126657 0.87 GABRP (0.58) KIF11ALDH1A1HSD17B10GPR3GABRP
SCHEMBL22136407 0.84 KIF11 (0.60) KIF11ALDH1A1HSD17B10GPR3GABRP
SCHEMBL28761242 0.82 ALDH1A1 (0.48) KIF11ALDH1A1HSD17B10GPR3GABRP
SCHEMBL28564322 0.82 KIF11 (0.58) KIF11ALDH1A1HSD17B10GPR3GABRP
SCHEMBL18668517 0.80 GABRP (0.50) KIF11GABRPGABRDGABRA1GABRB1
SCHEMBL13563976 0.80 KIF11 (0.78) KIF11ALDH1A1HSD17B10GPR3GABRP
SCHEMBL2627612 0.79 CHEK1 (0.47) ALDH1A1HSD17B10GPR3GABRPGABRD
SCHEMBL30655964 0.79 KIF11 (0.59) KIF11ALDH1A1HSD17B10GPR3GABRP
SCHEMBL783567 0.79 KIF11 (0.59) KIF11ALDH1A1HSD17B10GPR3GABRP

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-119409622-A Benzocarbazole derivative and synthetic method and application thereof 南宁师范大学 2025-02-11 CN disclosed