SCHEMBL6673981

SCHEMBL6673981

C[S+]([O-])C1=C(c2ccccc2)C(=O)N(Nc2ccccc2)C1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.48
▸ ALDH1A1 P00352 5/20 0.48
▸ NPSR1 Q6W5P4 3/20 0.48
▸ GAA P10253 2/20 0.48
▸ CCR6 P51684 2/20 0.48
▸ HPGD P15428 2/20 0.48
▸ ALOX12 P18054 2/20 0.48
▸ CACNA1B Q00975 2/20 0.48
▸ APBA1 Q02410 2/20 0.48
▸ CYP1A2 P05177 1/20 0.47
▸ LMNA P02545 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ NR1H2 P55055 8/20 0.41
▸ NR1H3 Q13133 8/20 0.41
▸ HCRTR1 O43613 1/20 0.40
▸ S1PR4 O95977 1/20 0.40
▸ HSP90AA1 P07900 1/20 0.40
▸ S1PR1 P21453 1/20 0.40
▸ CASP6 P55212 1/20 0.36
▸ TDP1 Q9NUW8 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
SCHEMBL6676954 0.73 CYP1A2 (0.55) MAPTALDH1A1NPSR1GAACCR6
SCHEMBL6676212 0.73 CYP1A2 (0.55) MAPTALDH1A1NPSR1GAACCR6
SCHEMBL6673869 0.73 CYP1A2 (0.50) MAPTALDH1A1NPSR1GAACCR6
SCHEMBL6673399 0.72 CYP1A2 (0.49) MAPTALDH1A1NPSR1GAACCR6
SCHEMBL8141682 0.68 CYP1A2 (0.67) MAPTALDH1A1NPSR1GAACCR6
SCHEMBL8131521 0.66 MAPT (0.54) MAPTALDH1A1NPSR1GAACCR6
SCHEMBL3259551 0.66 CYP1A2 (1.00) MAPTALDH1A1NPSR1GAACCR6
SCHEMBL7582583 0.65 MAPT (1.00) MAPTALDH1A1NPSR1GAACCR6
SCHEMBL6673472 0.65 CYP1A2 (0.44) MAPTALDH1A1NPSR1GAACCR6
SCHEMBL11945529 0.64 CYP1A2 (0.67) MAPTALDH1A1NPSR1GAACCR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1257172-B1 FUNGICIDAL AGENTS CONTAINING PYRROLIDONES AS THEIR ACTIVE AGENTS AND USE THEREOF FOR TREATING PLANTS BASF AG (DE) 2004-10-13 — — EP claimed
US-6586369-B1 Agriculture BASF AKTIENGESELLSCHAFT (DE) 2003-07-01 — — US claimed
EP-1257172-A2 FUNGICIDAL AGENTS CONTAINING PYRROLIDONES AS THEIR ACTIVE AGENTS AND USE THEREOF FOR TREATING PLANTS BASF AKTIENGESELLSCHAFT (DE) 2002-11-20 — — EP claimed
WO-2001062087-A2 FUNGICIDAL AGENTS CONTAINING PYRROLIDONES AS THEIR ACTIVE AGENTS AND USE THEREOF FOR TREATING PLANTS BASF AKTIENGESELLSCHAFT (DE) 2001-08-30 — — WO claimed
EP-1257172-B1 FUNGICIDAL AGENTS CONTAINING PYRROLIDONES AS THEIR ACTIVE AGENTS AND USE THEREOF FOR TREATING PLANTS BASF AG (DE) 2004-10-13 — — EP disclosed
US-6680283-B1 TREATMENT OF PLANTS, AND ALSO FOR THE THERAPEUTIC TREATMENT OF HUMAN DISORDERS CAUSED BY HARMFUL FUNGI, AND FOR THE VETERINARY TREATMENT OF MAMMALS BASF AKTIENGESELLSCHAFT (DE) 2004-01-20 — — US disclosed
US-6586369-B1 Agriculture BASF AKTIENGESELLSCHAFT (DE) 2003-07-01 — — US disclosed
EP-1257172-A2 FUNGICIDAL AGENTS CONTAINING PYRROLIDONES AS THEIR ACTIVE AGENTS AND USE THEREOF FOR TREATING PLANTS BASF AKTIENGESELLSCHAFT (DE) 2002-11-20 — — EP disclosed
WO-2001062087-A2 FUNGICIDAL AGENTS CONTAINING PYRROLIDONES AS THEIR ACTIVE AGENTS AND USE THEREOF FOR TREATING PLANTS BASF AKTIENGESELLSCHAFT (DE) 2001-08-30 — — WO disclosed
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