SCHEMBL28514803

SCHEMBL28514803

CCCCCc1cc2c3ccccc3[nH]c2c2c1oc1ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSV O60911 2/20 0.41
▸ CTSL P07711 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ MCL1 Q07820 1/20 0.41
▸ HSD17B10 Q99714 4/20 0.41
▸ MAP3K11 Q16584 2/20 0.41
▸ MAP3K9 P80192 1/20 0.41
▸ GABRP O00591 1/20 0.39
▸ GABRD O14764 1/20 0.39
▸ GABRA1 P14867 1/20 0.39
▸ IDO1 P14902 1/20 0.39
▸ GABRB1 P18505 1/20 0.39
▸ GABRG2 P18507 1/20 0.39
▸ GABRB3 P28472 1/20 0.39
▸ GABRA5 P31644 1/20 0.39
▸ GABRA3 P34903 1/20 0.39
▸ GABRA2 P47869 1/20 0.39

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
SCHEMBL16985150 0.82 MAPT (0.43) CTSVCTSLNPC1CYP1A2CYP2C19
SCHEMBL28755800 0.78 CTSV (0.50) CTSVCTSLHSD17B10GABRPGABRD
SCHEMBL16276007 0.77 KIF11 (0.46) NPC1CYP1A2CYP2C19RAB9AMAP3K11
SCHEMBL18101308 0.77 MAP3K11 (0.44) RAB9AHSD17B10MAP3K11MAP3K9GABRP
SCHEMBL27862470 0.73 CTSV (0.48) CTSVCTSLHSD17B10GABRPGABRD
SCHEMBL175508 0.72 KIF11 (0.50) CTSVCTSLHSD17B10GABRPGABRD
SCHEMBL20402151 0.71 MEN1 (0.43) CTSVCTSLRAB9AHSD17B10MAP3K11
SCHEMBL28131289 0.71 CTSV (0.49) CTSVCTSLHSD17B10GABRPGABRD
SCHEMBL14893316 0.71 CTSV (0.49) CTSVCTSLHSD17B10GABRPGABRD
SCHEMBL1001502 0.71 CTSV (0.51) CTSVCTSLHSD17B10GABRPGABRD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110041340-B 6-aryl-benzofuran carbazole compounds and preparation and application thereof 浙江大学 2020-12-18 — — CN claimed
CN-110041340-B 6-aryl-benzofuran carbazole compounds and preparation and application thereof 浙江大学 2020-12-18 — — CN disclosed
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