SCHEMBL11178194

SCHEMBL11178194

Cn1cc(-c2ccccc2)c(=O)c(-c2cccc(Br)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 2/20 0.40
▸ MAOB P27338 2/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ GABRA1 P14867 3/20 0.38
▸ GABRG2 P18507 3/20 0.38
▸ GABRB3 P28472 3/20 0.38
▸ GABRA5 P31644 3/20 0.38
▸ GABRA3 P34903 3/20 0.38
▸ GABRA2 P47869 2/20 0.38
▸ GABRB2 P47870 2/20 0.38
▸ DCTPP1 Q9H773 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.37
▸ GABRP O00591 1/20 0.37

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
SCHEMBL11436078 0.95 MAOB (0.42) MAOBNPC1TSHRRAB9ASMN1; SMN2
SCHEMBL11437276 0.88 ALDH1A1 (0.47) MAOBNPC1TP53TSHRRAB9A
SCHEMBL11426570 0.87 BRD4 (0.40) BRD4MAOBNPC1RAB9ASMN1; SMN2
SCHEMBL11429371 0.86 EGFR (0.44) MAOBSMN1; SMN2ALDH1A1GABRA1GABRG2
SCHEMBL11433955 0.86 MAOB (0.37) MAOBRAB9ADCTPP1
SCHEMBL11441378 0.85 BRD4 (0.43) BRD4NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL11554573 0.85 ALDH1A1 (0.48) BRD4NPC1TP53TSHRRAB9A
SCHEMBL11441314 0.84 BRD4 (0.52) BRD4SMN1; SMN2ALDH1A1HTTMAPT
SCHEMBL11434948 0.84 PGR (0.41) NPC1TP53TSHRRAB9ASMN1; SMN2
SCHEMBL11439462 0.84 AHR (0.38) MAOBNPC1RAB9ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4235619-A USING 3-PHENYL-4(1H)-PYRIDONES OR PYRIDINETHIONES ELI LILLY AND COMPANY (US) 1980-11-25 — — US claimed
US-4152136-A HERBICIDES ELI LILLY AND COMPANY (US) 1979-05-01 — — US claimed
EP-0006359-B1 USE OF 1-ALKYL-3-PHENYLPYRIDINIUM SALTS AS HERBICIDES AND HERBICIDAL FORMULATIONS CONTAINING THE SALTS ELI LILLY AND COMPANY (US) 1983-09-28 — — EP disclosed
US-4235619-A USING 3-PHENYL-4(1H)-PYRIDONES OR PYRIDINETHIONES ELI LILLY AND COMPANY (US) 1980-11-25 — — US disclosed
US-4218238-A Herbicidal 1-alkyl-3-phenylpyridinium salts ELI LILLY AND COMPANY (US) 1980-08-19 — — US disclosed
EP-0006359-A1 Use of 1-alkyl-3-phenylpyridinium salts as herbicides and herbicidal formulations containing the salts ELI LILLY AND COMPANY (US) 1980-01-09 — — EP disclosed
US-4174209-A Herbicidal 1-alkyl-3-phenylpyridinium salts ELI LILLY AND COMPANY (US) 1979-11-13 — — US disclosed
US-4152136-A HERBICIDES ELI LILLY AND COMPANY (US) 1979-05-01 — — US disclosed
US-4102669-A IN COTTON CULTURE ELI LILLY AND COMPANY (US) 1978-07-25 — — US disclosed
US-4065290-A Herbicidal β-phenyl-4-piperidinones ELI LILLY AND COMPANY (US) 1977-12-27 — — US disclosed
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