SCHEMBL4777030

SCHEMBL4777030

CC(C)c1cccc2[nH]nc(C(N)=O)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP2K4 P45985 3/20 0.41
▸ TTK P33981 2/20 0.39
▸ PDPK1 O15530 2/20 0.38
▸ KDM4E B2RXH2 4/20 0.38
▸ HIF1A Q16665 3/20 0.38
▸ YTHDC1 Q96MU7 1/20 0.38
▸ STAT3 P40763 1/20 0.38
▸ KDR P35968 3/20 0.37
▸ PARP1 P09874 3/20 0.37
▸ FLT3 P36888 3/20 0.36
▸ LMNA P02545 2/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ CDK1 P06493 2/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ TSHR P16473 2/20 0.36
▸ CDK2 P24941 2/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ KIT P10721 2/20 0.36
▸ MEN1 O00255 1/20 0.36

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
Oxalic Acid SCHEMBL7429490 0.96 MAP2K4 (0.39) MAP2K4TTKPDPK1KDM4EHIF1A
SCHEMBL7420704 0.86 KDM4E (0.39) TTKPDPK1KDM4EHIF1AYTHDC1
SCHEMBL2723270 0.80 MAP2K4 (0.49) MAP2K4TTKKDM4EHIF1AYTHDC1
SCHEMBL8877409 0.78 MAP2K4 (0.44) MAP2K4TTKPDPK1KDM4EHIF1A
SCHEMBL1648452 0.78 MAP2K4 (0.44) MAP2K4TTKPDPK1KDM4EHIF1A
SCHEMBL16252836 0.76 MAP2K4 (0.43) MAP2K4TTKPDPK1KDM4EHIF1A
SCHEMBL16475286 0.76 PDPK1 (0.56) PDPK1KDM4EKDRFLT3CDK1
SCHEMBL25696142 0.75 MAP2K4 (0.35) MAP2K4TTKKDM4EHIF1AYTHDC1
SCHEMBL18368384 0.74 CYP1A2 (0.41) MAP2K4TTKPDPK1KDM4EHIF1A
SCHEMBL27010919 0.74 CYP1A2 (0.41) MAP2K4TTKPDPK1KDM4EHIF1A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1902044-A1 5-HTX MODULATORS Bio Medisinsk Innovasjon AS (NO) 2008-03-26 — — EP disclosed
WO-2007007072-A1 5-HTX MODULATORS BIO-MEDISINSK INNOVASJON AS (NO) 2007-01-18 — — WO disclosed
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