SCHEMBL6235049

SCHEMBL6235049

CCCCCCCCc1csc(CCCCCCCC)n1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.50
SLC6A3 Q01959 2/20 0.47
ALDH1A1 P00352 1/20 0.42
ADRB3 P13945 4/20 0.40
ADRB2 P07550 2/20 0.40
ADRB1 P08588 2/20 0.40
ECE1 P42892 1/20 0.40
KDM4E B2RXH2 1/20 0.39
HDAC1 Q13547 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
DRD2 P14416 1/20 0.36
HTR2A P28223 1/20 0.36
HRH1 P35367 1/20 0.36
GPR84 Q9NQS5 4/20 0.36
PDE5A O76074 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
SCHEMBL3849941 0.98 SLC6A3 (0.48) KCNH2SLC6A3ALDH1A1ADRB3ADRB2
SCHEMBL25653945 0.96 SLC6A3 (0.50) KCNH2SLC6A3ALDH1A1ADRB3ADRB2
SCHEMBL28578070 0.94 SLC6A3 (0.46) KCNH2SLC6A3ALDH1A1ADRB3ADRB2
SCHEMBL21699960 0.92 SLC6A3 (0.52) KCNH2SLC6A3ALDH1A1HDAC1HDAC6
SCHEMBL14226438 0.91 KCNH2 (0.48) KCNH2SLC6A3ALDH1A1ADRB3ADRB2
SCHEMBL31317623 0.91 SLC6A3 (0.46) KCNH2SLC6A3ALDH1A1ADRB3ADRB2
SCHEMBL19197711 0.89 KCNH2 (0.46) KCNH2SLC6A3ALDH1A1ADRB3ADRB2
SCHEMBL2821735 0.89 SLC6A3 (0.47) KCNH2SLC6A3ALDH1A1ADRB3ADRB2
SCHEMBL10971781 0.88 SLC6A3 (0.45) KCNH2SLC6A3ALDH1A1ADRB3ADRB2
SCHEMBL30665041 0.86 SLC6A3 (0.51) KCNH2SLC6A3ALDH1A1HDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1281388-B1 Cosmetic and dermatological light protection formulations containing 2,2'-(1,4-phenylene)bis-1H-benzimidazole-4,6-disulphonic acid and or its salts and latex particles BEIERSDORF AG (DE) 2005-05-04 EP disclosed