SCHEMBL9503139

SCHEMBL9503139

CCCSc1ccc(Oc2ccc(CCl)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.47
MAOB P27338 3/20 0.47
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA13 Q8N1Q1 1/20 0.41
ALDH1A1 P00352 3/20 0.40
LTA4H P09960 5/20 0.37
KDM4E B2RXH2 1/20 0.36
RAB9A P51151 1/20 0.36
APP P05067 1/20 0.36
AR P10275 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
TTR P02766 1/20 0.34
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
KMT2A Q03164 1/20 0.33
ST14 Q9Y5Y6 1/20 0.32

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
SCHEMBL9503534 0.90 MAOA (0.50) MAOAMAOBALDH1A1LTA4HKDM4E
SCHEMBL9503547 0.89 MAOA (0.45) MAOAMAOBALDH1A1LTA4HKDM4E
SCHEMBL13397915 0.87 CA12 (0.50) MAOAMAOBCA12CA1CA2
SCHEMBL9501765 0.86 SLC6A4 (0.44) MAOAMAOBALDH1A1LTA4HRAB9A
SCHEMBL9501883 0.85 TTR (0.41) MAOAMAOBALDH1A1LTA4HKDM4E
SCHEMBL10731219 0.79 ALDH1A1 (0.40) MAOAMAOBALDH1A1LTA4HKDM4E
SCHEMBL10731318 0.79 ALDH1A1 (0.40) MAOAMAOBALDH1A1LTA4HKDM4E
SCHEMBL9502046 0.78 SLC6A4 (0.43) MAOARAB9AKMT2A
SCHEMBL9503477 0.78 ALDH1A1 (0.39) MAOAMAOBALDH1A1RAB9AAPP
SCHEMBL1338731 0.77 ST14 (0.48) MAOAMAOBCA1CA2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0186190-B1 BENZIMIDAZOLE DERIVATIVES, AND THEIR PRODUCTION AND USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-05-26 EP disclosed
EP-0132606-B1 BENZIMIDAZOLE DERIVATIVES, AND THEIR PRODUCTION AND USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-10-07 EP disclosed
US-4663339-A Acaricidal and insecticidal substituted 1-phenylalkylbenzimidazoles SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-05-05 US disclosed
US-4612323-A Insecticidal and acaricidal derivatives of 1-benzylbenzimidazole SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-09-16 US disclosed
EP-0186190-A2 Benzimidazole derivatives, and their production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-07-02 EP disclosed
EP-0132606-A1 Benzimidazole derivatives, and their production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1985-02-13 EP disclosed