SCHEMBL11716196

SCHEMBL11716196

CC(C)N(CCCOc1cccc(C(=O)c2ccc(N)c(N)c2)c1)C(C)C

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 5/20 0.44
▸ LMNA P02545 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ THRA P10827 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ ABCB1 P08183 1/20 0.40
▸ FOS P01100 1/20 0.40
▸ JUN P05412 1/20 0.40
▸ PRSS1 P07477 2/20 0.40
▸ MCHR1 Q99705 1/20 0.40
▸ SRD5A2 P31213 1/20 0.40
▸ STS P08842 1/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.40

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
SCHEMBL11718537 0.97 LMNA (0.44) ESR1LMNAMAPK1L3MBTL1THRA
SCHEMBL11713798 0.94 MCHR1 (0.45) ESR1LMNAMAPK1L3MBTL1KMT2A
SCHEMBL11720107 0.89 ESR1 (0.46) ESR1L3MBTL1ABCB1MCHR1HRH3
SCHEMBL11720078 0.87 ESR1 (0.55) ESR1LMNAMAPK1L3MBTL1THRA
SCHEMBL11713349 0.86 LSS (0.46) ESR1L3MBTL1ABCB1MCHR1
SCHEMBL11720978 0.85 ESR1 (0.58) ESR1LMNAMAPK1L3MBTL1KMT2A
SCHEMBL11716788 0.84 ESR1 (0.48) ESR1LMNAMAPK1L3MBTL1THRA
SCHEMBL11717138 0.84 THRA (0.49) ESR1LMNAMAPK1L3MBTL1THRA
SCHEMBL11720909 0.83 ALDH1A1 (0.54) ESR1LMNAMAPK1L3MBTL1THRA
SCHEMBL11722280 0.83 ESR1 (0.53) ESR1LMNAMAPK1L3MBTL1ABCB1

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-4010272-A ANTHELMINTICALLY ACTIVE BASICALLY SUBSTITUTED 2-CARBALKOXY-AMINO-BENZIMIDAZOLYL-5(6)-PHENYL ETHERS AND -KETONES HOECHST AKTIENGESELLSCHAFT (DT) 1977-03-01 — — US disclosed
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