SCHEMBL10505170

SCHEMBL10505170

CCOc1ccccc1-c1c[nH]cc1C#N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIP4K2A P48426 1/20 0.44
▸ GRIA2 P42262 1/20 0.42
▸ GRIA4 P48058 1/20 0.42
▸ PDE3A Q14432 1/20 0.42
▸ AR P10275 1/20 0.41
▸ PDE5A O76074 2/20 0.41
▸ GRIN1 Q05586 1/20 0.40
▸ GRIN2B Q13224 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ ALDH1A1 P00352 5/20 0.40
▸ HPGD P15428 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ PPARG P37231 1/20 0.40
▸ STAT3 P40763 1/20 0.40
▸ NCOA2 Q15596 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ HSD17B10 Q99714 2/20 0.39

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
SCHEMBL11937448 0.85 AR (0.40) ARALDH1A1HPGD
SCHEMBL10505510 0.83 AR (0.47) ARGAAALDH1A1
SCHEMBL30343622 0.83 AR (0.47) ARGAAALDH1A1
SCHEMBL3079041 0.82 MAOB (0.46) —
SCHEMBL1132618 0.82 PIP4K2A (0.48) PIP4K2APDE3AARPDE5AGRIN1
SCHEMBL198911 0.76 ALDH1A1 (0.60) PDE5AL3MBTL1ALDH1A1HPGDMAPT
SCHEMBL10518879 0.76 KCNN4 (0.48) ARGAAALDH1A1HPGDKDM4E
SCHEMBL30283197 0.75 SMN1; SMN2 (0.51) ARGAAL3MBTL1ALDH1A1HPGD
SCHEMBL5451 0.75 SMN1; SMN2 (0.51) ARGAAL3MBTL1ALDH1A1HPGD
SCHEMBL12670736 0.74 TSHR (0.50) ARGAAALDH1A1HPGDKDM4E

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-0096142-B1 MICROBICIDAL SULFONYL PYRROLE CIBA-GEIGY AG (CH) 1989-01-18 — — EP disclosed
EP-0096142-A2 Microbicidal sulfonyl pyrrole CIBA-GEIGY AG (CH) 1983-12-21 — — EP disclosed
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