SCHEMBL1776299

SCHEMBL1776299

CN1CCN(c2nccc3sc(Br)c(S(=O)(=O)NCCC4=CCCCC4)c23)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
ALDH1A1 P00352 9/20 0.40
TSHR P16473 5/20 0.40
ALOX15 P16050 3/20 0.40
LMNA P02545 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GAA P10253 1/20 0.39
NPSR1 Q6W5P4 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
TP53 P04637 1/20 0.39
RECQL P46063 2/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
HTT P42858 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
Hydrochloric Acid SCHEMBL1775588 0.99 TDP1 (0.43) TDP1L3MBTL1ALDH1A1TSHRALOX15
Hydrochloric Acid SCHEMBL1775559 0.83 ALDH1A1 (0.35) TDP1ALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL1774595 0.81 TSHR (0.43) TDP1L3MBTL1ALDH1A1TSHRALOX15
Hydrochloric Acid SCHEMBL1776278 0.80 TSHR (0.42) TDP1L3MBTL1ALDH1A1TSHRALOX15
SCHEMBL1775387 0.75 HRH4 (0.39) ALDH1A1HTT
SCHEMBL1775869 0.74 LMNA (0.39) LMNASMN1; SMN2KDM4EKMT2AMEN1
Hydrochloric Acid SCHEMBL1776644 0.74 LMNA (0.39) LMNASMN1; SMN2KDM4EKMT2AMEN1
SCHEMBL1775987 0.74 HTT (0.39) ALDH1A1LMNASMN1; SMN2GAAKDM4E
Hydrochloric Acid SCHEMBL1774418 0.73 HTT (0.39) ALDH1A1LMNASMN1; SMN2GAAKDM4E
SCHEMBL1775433 0.70 HTR6 (0.40) TDP1CYP1A2CYP3A4CYP2D6CYP2C19

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-7943639-B2 Such as 6-benzenesulfonyl-4-piperazin-1-yl-quinoline hydrochloride; for treatment of central nervous system and/or 5- HT6 receptor related disorders; for weight gain/loss PROXIMAGEN LIMITED (GB) 2011-05-17 US claimed