SCHEMBL9319012

SCHEMBL9319012

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.61
▸ KDM4E B2RXH2 4/20 0.61
▸ GLA P06280 4/20 0.61
▸ ALDH1A1 P00352 4/20 0.61
▸ LMNA P02545 4/20 0.61
▸ GAA P10253 3/20 0.61
▸ TDP1 Q9NUW8 3/20 0.61
▸ NPSR1 Q6W5P4 3/20 0.61
▸ ATM Q13315 3/20 0.61
▸ S1PR2 O95136 2/20 0.61
▸ HPGD P15428 2/20 0.61
▸ S1PR4 O95977 1/20 0.61
▸ S1PR1 P21453 1/20 0.61
▸ ERAP1 Q9NZ08 1/20 0.61
▸ KMT2A Q03164 4/20 0.59
▸ HTT P42858 2/20 0.59
▸ MAOB P27338 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 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
SCHEMBL9319047 0.89 MAPT (0.70) MAPTKDM4EGLAALDH1A1LMNA
SCHEMBL29276483 0.85 ALDH1A1 (0.61) MAPTKDM4EGLAALDH1A1LMNA
SCHEMBL3139976 0.83 ALDH1A1 (0.71) MAPTKDM4EGLAALDH1A1LMNA
SCHEMBL3133306 0.82 ALDH1A1 (0.60) MAPTKDM4EGLAALDH1A1LMNA
SCHEMBL4830373 0.82 ALDH1A1 (0.63) MAPTKDM4EGLAALDH1A1LMNA
SCHEMBL17562390 0.82 KDM4E (0.63) MAPTKDM4EGLAALDH1A1LMNA
SCHEMBL11251929 0.81 MAPT (0.70) MAPTKDM4EGLAALDH1A1LMNA
SCHEMBL554460 0.79 KDM4E (0.64) MAPTKDM4EGLAALDH1A1LMNA
SCHEMBL11544710 0.79 MAPT (0.67) MAPTKDM4EGLAALDH1A1LMNA
SCHEMBL9319004 0.79 MAPT (0.59) MAPTKDM4EGLAALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
Send feedback