SCHEMBL9502046

SCHEMBL9502046

CSc1ccc(Oc2ccc(CCl)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 13/20 0.43
SLC6A2 P23975 4/20 0.43
SLC6A3 Q01959 4/20 0.43
HTR2A P28223 1/20 0.42
KCNH2 Q12809 1/20 0.42
GAA P10253 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
MAOA P21397 1/20 0.41
CYP1A2 P05177 2/20 0.40
CYP1A1 P04798 1/20 0.40
CYP1B1 Q16678 1/20 0.40
MEN1 O00255 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
RECQL P46063 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL1006499 0.87 SLC6A4 (0.52) SLC6A4SLC6A2SLC6A3MAOACYP1A2
SCHEMBL11813055 0.85 SLC6A4 (0.50) SLC6A4SLC6A2SLC6A3MAOACYP1A2
SCHEMBL9505086 0.83 TTR (0.42) SLC6A4GAAMEN1KMT2A
SCHEMBL1338731 0.82 ST14 (0.48) MAOAMEN1KMT2A
SCHEMBL8551187 0.82 ST14 (0.48) MAOAMEN1KMT2A
SCHEMBL2774995 0.82 CYP1A1 (0.52) SLC6A4SLC6A2SLC6A3HTR2AKCNH2
SCHEMBL10731318 0.82 ALDH1A1 (0.40) SLC6A4SLC6A2SLC6A3HRH3MAOA
SCHEMBL16316305 0.82 SMN1; SMN2 (0.46) SLC6A4SLC6A2SLC6A3HTR2AKCNH2
SCHEMBL9501765 0.81 SLC6A4 (0.44) SLC6A4MAOARAB9A
SCHEMBL920206 0.80 ST14 (0.61) SLC6A4SLC6A2SLC6A3HTR2AKCNH2

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