SCHEMBL16510759

SCHEMBL16510759

CNc1nc(-c2cccc(-c3ccccc3)c2)cc2cc(OC)c(C)cc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.45
▸ MAPT P10636 2/20 0.45
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ HPGD P15428 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ RAC1 P63000 2/20 0.43
▸ ALDH1A1 P00352 4/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ ACACA Q13085 1/20 0.41
▸ GLA P06280 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ TSHR P16473 3/20 0.41
▸ ATM Q13315 2/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ TRIM58 Q8NG06 1/20 0.41
▸ USP2 O75604 1/20 0.41

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
SCHEMBL12070677 0.91 RAC1 (0.49) KDM4EMAPTSMN1; SMN2HPGDLMNA
SCHEMBL14927011 0.87 ALDH1A1 (0.47) KDM4EMAPTSMN1; SMN2HPGDLMNA
SCHEMBL16510522 0.84 SYK (0.47) KDM4EMAPTSMN1; SMN2HPGDLMNA
SCHEMBL16510758 0.81 KDM4E (0.45) KDM4EMAPTSMN1; SMN2HPGDLMNA
SCHEMBL16510485 0.80 KDM4E (0.63) KDM4EMAPTSMN1; SMN2HPGDLMNA
SCHEMBL147920 0.77 RAC1 (0.71) KDM4EMAPTSMN1; SMN2HPGDLMNA
SCHEMBL215619 0.76 RAC1 (0.73) KDM4EMAPTSMN1; SMN2HPGDLMNA
SCHEMBL12070765 0.75 SYK (0.49) KDM4EMAPTSMN1; SMN2HPGDLMNA
SCHEMBL13757363 0.75 SMN1; SMN2 (0.55) KDM4EMAPTSMN1; SMN2HPGDLMNA
SCHEMBL12072037 0.74 SMN1; SMN2 (0.45) KDM4EMAPTSMN1; SMN2HPGDLMNA

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-2011156626-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2011-12-15 — — WO disclosed
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