SCHEMBL10924593

SCHEMBL10924593

CCOC(=O)c1c(-c2ccccc2)n[nH]c1C#N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 1/20 0.56
▸ ADORA3 P0DMS8 8/20 0.53
▸ KDM4E B2RXH2 7/20 0.52
▸ ALDH1A1 P00352 8/20 0.51
▸ NPSR1 Q6W5P4 3/20 0.51
▸ HTT P42858 2/20 0.51
▸ RXFP1 Q9HBX9 1/20 0.51
▸ LMNA P02545 4/20 0.50
▸ HPGD P15428 4/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ L3MBTL1 Q9Y468 6/20 0.49
▸ TDP1 Q9NUW8 5/20 0.49
▸ GPR55 Q9Y2T6 1/20 0.48
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47

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
SCHEMBL10924549 0.87 KDM4E (0.47) HPGDSKDM4EALDH1A1NPSR1HTT
SCHEMBL10925507 0.86 JAK2 (0.49) HPGDSADORA3KDM4EALDH1A1NPSR1
SCHEMBL10924946 0.85 ALDH1A1 (0.53) HPGDSKDM4EALDH1A1NPSR1HTT
SCHEMBL11269746 0.83 HPGDS (0.61) HPGDSADORA3KDM4EALDH1A1NPSR1
SCHEMBL1969117 0.81 HPGDS (0.59) HPGDSADORA3KDM4EALDH1A1NPSR1
SCHEMBL3263722 0.80 HPGDS (0.57) HPGDSADORA3KDM4EALDH1A1NPSR1
SCHEMBL17279852 0.79 HPGDS (0.60) HPGDSADORA3KDM4EALDH1A1NPSR1
SCHEMBL7460449 0.78 PDE4D (0.52) HPGDSADORA3KDM4EALDH1A1NPSR1
SCHEMBL22890174 0.77 PDE4D (0.67) KDM4EALDH1A1NPSR1HTTRXFP1
SCHEMBL3847496 0.76 HPGDS (0.60) HPGDSADORA3KDM4EALDH1A1NPSR1

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-0177242-A2 Pollen formation inhibiting pyrazoles ELI LILLY AND COMPANY (US) 1986-04-09 — — EP disclosed
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