SCHEMBL10401598

SCHEMBL10401598

COC(=O)c1ccc(C)c(Cc2c[nH]cn2)c1O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR4A2 P43354 4/20 0.34
▸ MAP2K1 Q02750 1/20 0.34
▸ KDM4E B2RXH2 3/20 0.33
▸ MAPT P10636 2/20 0.33
▸ MITF O75030 1/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ PDK2 Q15119 1/20 0.33
▸ PDK4 Q16654 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ CA14 Q9ULX7 1/20 0.33
▸ RNASEH1 O60930 1/20 0.32
▸ GAA P10253 3/20 0.32
▸ GLA P06280 1/20 0.32
▸ TSHR P16473 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ HPGD P15428 2/20 0.32

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
Bromide SCHEMBL10402341 0.99 NR4A2 (0.33) NR4A2MAP2K1KDM4EMAPTMITF
SCHEMBL9648247 0.86 ALDH1A1 (0.37) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL9645373 0.85 NNMT (0.32) —
SCHEMBL10401641 0.80 KMT2A (0.34) NR4A2KDM4EMAPTGAAALDH1A1
SCHEMBL10401974 0.79 ALDH1A1 (0.39) NR4A2MAP2K1KDM4EMAPTTSHR
SCHEMBL25038962 0.72 ALDH1A1 (0.51) MAP2K1KDM4EMAPTGAAGLA
SCHEMBL20558617 0.71 CA12 (0.41) KDM4EMAPTMITFCA12CA1
SCHEMBL8321013 0.71 CTSD (0.41) MAPTMITFCA12CA1CA2
SCHEMBL10401616 0.71 CA12 (0.41) KDM4EMAPTCA12CA1CA2
SCHEMBL10401901 0.70 ALDH1A1 (0.38) NR4A2MAP2K1KDM4EMAPTGAA

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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