SCHEMBL8981907

SCHEMBL8981907

CC(O)(O)NCCS(=O)(=O)c1ccc(N2CCC(c3ccc(Cl)cc3)=N2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 8/20 0.56
▸ ALDH1A1 P00352 7/20 0.56
▸ LMNA P02545 5/20 0.56
▸ MAPT P10636 4/20 0.56
▸ GAA P10253 4/20 0.56
▸ KDM4E B2RXH2 4/20 0.56
▸ GLA P06280 3/20 0.56
▸ TDP1 Q9NUW8 3/20 0.56
▸ S1PR2 O95136 2/20 0.56
▸ HPGD P15428 2/20 0.56
▸ ATM Q13315 2/20 0.56
▸ NPSR1 Q6W5P4 2/20 0.56
▸ HTT P42858 2/20 0.56
▸ S1PR4 O95977 1/20 0.56
▸ S1PR1 P21453 1/20 0.56
▸ ERAP1 Q9NZ08 1/20 0.56
▸ MAOB P27338 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.36
▸ NPC1 O15118 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
SCHEMBL3139976 0.83 ALDH1A1 (0.71) KMT2AALDH1A1LMNAMAPTGAA
SCHEMBL9320340 0.82 ALDH1A1 (0.56) KMT2AALDH1A1LMNAMAPTGAA
SCHEMBL4830373 0.82 ALDH1A1 (0.63) KMT2AALDH1A1LMNAMAPTGAA
SCHEMBL11251929 0.81 MAPT (0.70) KMT2AALDH1A1LMNAMAPTGAA
SCHEMBL9319047 0.80 MAPT (0.70) KMT2AALDH1A1LMNAMAPTGAA
SCHEMBL3133306 0.80 ALDH1A1 (0.60) KMT2AALDH1A1LMNAMAPTGAA
SCHEMBL8981903 0.79 ALDH1A1 (0.54) KMT2AALDH1A1LMNAMAPTGAA
SCHEMBL9319012 0.78 MAPT (0.61) KMT2AALDH1A1LMNAMAPTGAA
SCHEMBL29276483 0.78 ALDH1A1 (0.61) KMT2AALDH1A1LMNAMAPTGAA
SCHEMBL9283208 0.78 MAPT (0.69) KMT2AALDH1A1LMNAMAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0234176-B2 Pyrazoline compounds CIBA GEIGY AG (CH) 1996-05-22 — — EP disclosed
US-5308545-A Pyrazoline compounds CIBA-GEIGY CORPORATION (US) 1994-05-03 — — US disclosed
US-4816590-A Pyrazoline compounds and method of whitening CIBA-GEIGY CORPORATION (US) 1989-03-28 — — US disclosed
EP-0234176-A1 Pyrazoline compounds CIBA-GEIGY AG (CH) 1987-09-02 — — EP disclosed
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