SCHEMBL10401641

SCHEMBL10401641

COC(=O)c1cc(Br)c(C)c(Cc2c[nH]cn2)c1O

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.34
▸ MAPT P10636 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.32
▸ NR4A2 P43354 1/20 0.32
▸ KDR P35968 1/20 0.31
▸ SOS1 Q07889 1/20 0.30
▸ ALDH1A1 P00352 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
SCHEMBL9647144 0.87 PTPN1 (0.38) KDM4EALDH1A1
SCHEMBL10401598 0.80 NR4A2 (0.34) MAPTGAAKDM4ENR4A2ALDH1A1
Bromide SCHEMBL10402341 0.79 NR4A2 (0.33) MAPTGAAKDM4ENR4A2ALDH1A1
Hydrochloric Acid SCHEMBL10401912 0.71 ALDH1A1 (0.32) GAAALDH1A1
SCHEMBL10401974 0.71 ALDH1A1 (0.39) KMT2AMAPTKDM4ENR4A2ALDH1A1
SCHEMBL17201278 0.70 SOS1 (0.42) KMT2AMAPTMEN1GAAKDM4E
SCHEMBL9648247 0.68 ALDH1A1 (0.37) KMT2AMAPTKDM4EALDH1A1
SCHEMBL17201262 0.67 SOS1 (0.39) KMT2AMAPTMEN1GAAKDM4E
SCHEMBL17201322 0.67 SOS1 (0.49) KMT2AMAPTMEN1GAAKDM4E
SCHEMBL27185644 0.67 SOS1 (0.49) KMT2AMAPTMEN1GAAKDM4E

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-4923865-A Substituted 1-(1H-imidazol-4-yl)alkyl-benzamides as anti-ischemics and as alpha-2-adrenergic receptor agonists U C B SOCIETE ANONYME (BE) 1990-05-08 — — US disclosed
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