SCHEMBL11229162

SCHEMBL11229162

NC1=CCc2ccccc2C1=S(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.40
CES1 P23141 2/20 0.32
MAOA P21397 2/20 0.32
TSHR P16473 1/20 0.32
NOS3 P29474 2/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
NOS2 P35228 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CHEK1 O14757 1/20 0.31
DAPK3 O43293 1/20 0.31
LTK P29376 1/20 0.31
MAPK8 P45983 1/20 0.31
CSNK1A1 P48729 1/20 0.31
CDK8 P49336 1/20 0.31

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
SCHEMBL30041622 0.78 HTR6 (0.48) HTR6CES1MAOATSHRNOS3
SCHEMBL6925588 0.78 HTR6 (0.48) HTR6CES1MAOATSHRNOS3
SCHEMBL9321655 0.75 MAOA (0.50) HTR6CES1MAOANPC1RAB9A
SCHEMBL6624132 0.71 HTR6 (0.43) HTR6TSHRNOS3NPC1RAB9A
SCHEMBL276262 0.65 MAOA (0.41) HTR6CES1MAOANPC1RAB9A
SCHEMBL26013515 0.63 ALDH1A1 (0.48) HTR6TSHRNOS3NPC1RAB9A
SCHEMBL7960264 0.62 HTR6 (0.41) HTR6CES1MAOATSHRALDH1A1
SCHEMBL4448887 0.62 HTR6 (0.41) HTR6CES1MAOATSHRNOS3
SCHEMBL10532536 0.62 ALDH1A1 (0.46) HTR6CES1TSHRKDM4EALDH1A1
SCHEMBL6035252 0.62 MAOA (0.34) CES1MAOAMAOBBCHE

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
US-4323497-A Water-soluble disazo dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1982-04-06 US disclosed