SCHEMBL8195029

SCHEMBL8195029

COCCOc1c(C=O)cc2c(c1Br)CCCC2

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
FGFR4 P22455 3/20 0.33
DRD1 P21728 1/20 0.32
DRD3 P35462 1/20 0.32
CXCR2 P25025 1/20 0.31
LMNA P02545 1/20 0.31
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C19 P33261 1/20 0.30
EGFR P00533 1/20 0.30
PARP1 P09874 1/20 0.30
PPARG P37231 1/20 0.30
PPARD Q03181 1/20 0.30
PPARA Q07869 1/20 0.30

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
SCHEMBL14574573 0.78 MEN1 (0.39) MEN1KMT2AFGFR4DRD1DRD3
SCHEMBL8194455 0.77 ALDH1A1 (0.35) FGFR4DRD1DRD3ALDH1A1EGFR
SCHEMBL11626183 0.72 MEN1 (0.50) MEN1KMT2ALMNAALDH1A1
SCHEMBL11866795 0.71 MEN1 (0.49) MEN1KMT2ALMNAALDH1A1
SCHEMBL8208937 0.70 PDCD1LG2 (0.35) PARP1
SCHEMBL8382228 0.70 PRKDC (0.42) LMNAALDH1A1CYP1A2CYP2C19EGFR
SCHEMBL11626605 0.69 MEN1 (0.64) MEN1KMT2ALMNAALDH1A1
SCHEMBL8217052 0.69 SLC6A4 (0.36) MEN1KMT2AFGFR4CXCR2ALDH1A1
SCHEMBL11625348 0.69 MEN1 (0.52) MEN1KMT2ALMNAALDH1A1CYP1A2
SCHEMBL11629337 0.69 MEN1 (0.56) MEN1KMT2ALMNAALDH1A1CYP1A2

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
WO-2000078724-A2 IMIDAZOLINDERIVATIVES THEIR PREPARATION AND THEIR PHARMACEUTICAL USE ELI LILLY AND COMPANY (US) 2000-12-28 WO disclosed