SCHEMBL9503534

SCHEMBL9503534

CCCCSc1ccc(Oc2ccc(CCl)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.50
MAOB P27338 2/20 0.50
LTA4H P09960 4/20 0.42
AR P10275 2/20 0.38
ALDH1A1 P00352 3/20 0.38
SLC2A1 P11166 1/20 0.36
TSHR P16473 1/20 0.36
HPGD P15428 1/20 0.35
KDM4E B2RXH2 2/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
XDH P47989 1/20 0.35

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
SCHEMBL9503547 0.95 MAOA (0.45) MAOAMAOBLTA4HARALDH1A1
SCHEMBL9503139 0.90 MAOA (0.47) MAOAMAOBLTA4HARALDH1A1
SCHEMBL9503489 0.86 LTA4H (0.43) MAOAMAOBLTA4HARALDH1A1
SCHEMBL9501765 0.83 SLC6A4 (0.44) MAOAMAOBLTA4HALDH1A1RAB9A
SCHEMBL9503567 0.81 LTA4H (0.63) LTA4HALDH1A1TSHRHPGDKDM4E
SCHEMBL9503541 0.78 LTA4H (0.66) LTA4HTSHRHPGDRAB9ANPC1
SCHEMBL9502103 0.78 LTA4H (0.44) LTA4HALDH1A1HPGDKDM4ERAB9A
SCHEMBL10731219 0.77 ALDH1A1 (0.40) MAOAMAOBLTA4HALDH1A1KDM4E
SCHEMBL10731318 0.77 ALDH1A1 (0.40) MAOAMAOBLTA4HALDH1A1KDM4E
SCHEMBL13397915 0.77 CA12 (0.50) MAOAMAOBLTA4HARALDH1A1

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