SCHEMBL1777693

SCHEMBL1777693

O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1cc2c(N3CCNCC3)nccc2s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH2 P48735 1/20 0.44
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.41
GUSB P08236 2/20 0.41
ADRB1 P08588 1/20 0.41
MEN1 O00255 1/20 0.41
HTR6 P50406 5/20 0.41
HTR1D P28221 3/20 0.41
HTR1A P08908 2/20 0.41
HTR1B P28222 2/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
HTR2C P28335 2/20 0.40
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
ALDH1A1 P00352 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
Hydrochloric Acid SCHEMBL1776483 0.99 IDH2 (0.43) IDH2MAPTKMT2AGUSBADRB1
SCHEMBL1776192 0.88 HTR2C (0.40) GUSBADRB1HTR6HTR1DHTR1A
Hydrochloric Acid SCHEMBL1774117 0.88 HTR2C (0.39) GUSBADRB1HTR6HTR1DHTR1A
SCHEMBL1777202 0.86 HTR6 (0.48) GUSBHTR6HTR1DHTR1AHTR1B
Hydrochloric Acid SCHEMBL1775919 0.86 HTR6 (0.47) GUSBHTR6HTR1DHTR1AHTR1B
SCHEMBL1775934 0.84 HTR6 (0.44) MAPTKMT2AGUSBMEN1HTR6
Hydrochloric Acid SCHEMBL1774686 0.83 HTR6 (0.44) MAPTKMT2AGUSBMEN1HTR6
SCHEMBL1776158 0.82 HTR6 (0.54) GUSBHTR6HTR1DHTR1AHTR1B
Hydrochloric Acid SCHEMBL1776342 0.81 HTR6 (0.53) GUSBHTR6HTR1DHTR1AHTR1B
SCHEMBL1775636 0.81 HTR6 (0.47) GUSBHTR6HTR1DHTR1AHTR1B

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