SCHEMBL7676531

SCHEMBL7676531

Cc1sc(NC(=O)Cc2ccc3c(c2)OCO3)c(C(N)=O)c1C

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 3/20 0.63
▸ MAPT P10636 7/20 0.59
▸ ALDH1A1 P00352 7/20 0.58
▸ HPGD P15428 5/20 0.58
▸ KDM4E B2RXH2 3/20 0.58
▸ GAA P10253 3/20 0.58
▸ MEN1 O00255 3/20 0.58
▸ KMT2A Q03164 3/20 0.58
▸ POLB P06746 2/20 0.58
▸ LMNA P02545 2/20 0.58
▸ HSD17B10 Q99714 2/20 0.55
▸ USP2 O75604 1/20 0.55
▸ TP53 P04637 1/20 0.55
▸ ALOX15 P16050 1/20 0.55
▸ TSHR P16473 1/20 0.55
▸ NPSR1 Q6W5P4 1/20 0.55
▸ AIP O00170 1/20 0.51
▸ SGTA O43765 1/20 0.51
▸ TOMM70 O94826 1/20 0.51
▸ STIP1 P31948 1/20 0.51

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
SCHEMBL8290727 0.81 NPC1 (0.70) MAPTALDH1A1HPGDKDM4EGAA
SCHEMBL18180597 0.80 L3MBTL1 (0.66) MAPK8MAPTALDH1A1HPGDKDM4E
SCHEMBL13126361 0.79 MAPK8 (0.65) MAPK8MAPTALDH1A1HPGDKDM4E
SCHEMBL7669932 0.77 MAPT (0.80) MAPTALDH1A1HPGDKDM4EMEN1
SCHEMBL7003572 0.77 MAPT (0.80) MAPTALDH1A1HPGDKDM4EMEN1
SCHEMBL18177310 0.74 MAPT (0.61) MAPK8MAPTALDH1A1HPGDGAA
SCHEMBL8636561 0.72 MAPK8 (0.67) MAPK8MAPTALDH1A1HPGDKDM4E
SCHEMBL5245843 0.72 MAPT (0.54) MAPTALDH1A1HPGDKDM4EGAA
SCHEMBL179015 0.72 RAB9A (0.71) MAPK8MAPTALDH1A1KDM4EGAA
SCHEMBL1272814 0.71 ALDH1A1 (0.62) MAPK8ALDH1A1HPGDGAAHSD17B10

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-6414013-B1 KINASE INHIBITORS; ANTICANCER AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 2002-07-02 — — US claimed
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