SCHEMBL11550813

SCHEMBL11550813

Cn1cc(-c2ccccc2)c(=O)c(-c2ccccc2F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 4/20 0.41
▸ RAB9A P51151 3/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ PTPRC P08575 1/20 0.37
▸ PTPN1 P18031 1/20 0.37
▸ MAPT P10636 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ DAO P14920 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ GRM2 Q14416 1/20 0.35
▸ MGLL Q99685 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ NFKB2 Q00653 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ RELA Q04206 1/20 0.35

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
SCHEMBL11441314 0.86 BRD4 (0.52) BRD4MAPTLMNAHTTKDM4E
SCHEMBL11554969 0.83 BRD4 (0.43) BRD4MAPTLMNA
SCHEMBL11428867 0.82 POLB (0.41) BRD4PTPRCALDH1A1MAPK1SMN1; SMN2
SCHEMBL11547644 0.82 BRD4 (0.48) BRD4RAB9ANPC1MAPTLMNA
SCHEMBL11428401 0.82 AKR1C3 (0.42) LMNAALDH1A1NPSR1
SCHEMBL11551750 0.81 BRD4 (0.47) BRD4RAB9ANPC1KDM4EALDH1A1
SCHEMBL11426220 0.80 BRD4 (0.44) BRD4MAPTLMNAALDH1A1HSD17B10
SCHEMBL11551693 0.80 CYP2A6 (0.52) BRD4PTPRCLMNAKDM4EALDH1A1
SCHEMBL11550025 0.80 HSD11B1 (0.49) BRD4ALDH1A1
SCHEMBL11440224 0.79 HSD17B10 (0.41) BRD4LMNAHTTKDM4ESMN1; SMN2

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-4152136-A HERBICIDES ELI LILLY AND COMPANY (US) 1979-05-01 — — US disclosed
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