SCHEMBL11435542

SCHEMBL11435542

C=CCc1cc(C(=O)O)nn1CC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MARS1 P56192 1/20 0.40
▸ AURKA O14965 1/20 0.37
▸ RPS6KB1 P23443 1/20 0.37
▸ KDM4E B2RXH2 3/20 0.36
▸ GAA P10253 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ APOBEC3A P31941 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ APOBEC3G Q9HC16 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ HCAR3 P49019 1/20 0.33
▸ P2RY14 Q15391 2/20 0.33
▸ PTGER1 P34995 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ HCAR2 Q8TDS4 1/20 0.33

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
SCHEMBL11500139 0.86 P2RY14 (0.32) MARS1KDM4EGAAALDH1A1APOBEC3A
SCHEMBL3577067 0.82 MARS1 (0.45) MARS1AURKARPS6KB1KDM4EGAA
SCHEMBL11455736 0.81 KDM4E (0.34) KDM4EGAAALDH1A1POLBAPOBEC3A
SCHEMBL11394213 0.78 SMN1; SMN2 (0.32) KDM4EGAAL3MBTL1APOBEC3AAPOBEC3G
SCHEMBL1739452 0.76 MARS1 (0.41) MARS1AURKARPS6KB1KDM4EGAA
SCHEMBL1741116 0.76 CNR1 (0.48) MARS1AURKARPS6KB1KDM4EGAA
SCHEMBL1739296 0.74 MARS1 (0.45) MARS1AURKARPS6KB1ALDH1A1POLB
SCHEMBL11365648 0.74 HCAR2 (0.49) MARS1HCAR3PTGER1HCAR2
SCHEMBL3646146 0.73 MARS1 (0.46) MARS1AURKARPS6KB1KDM4EGAA
SCHEMBL2360638 0.73 AURKA (0.60) MARS1AURKARPS6KB1KDM4EGAA

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
EP-0029363-A1 Pyrazole derivatives, process for their preparation and pharmaceutical compositions containing them MORISHITA PHARMACEUTICAL CO. LTD. (JP) 1981-05-27 — — EP disclosed
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