SCHEMBL7410787

SCHEMBL7410787

Cc1ccc(S(=O)(=O)OC2CCc3[nH]c4ccc(Cl)cc4c3C2)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.47
HTR6 P50406 2/20 0.47
HTR1A P08908 1/20 0.47
HTR7 P34969 1/20 0.47
MAPT P10636 7/20 0.44
NR1H2 P55055 7/20 0.44
NR1H3 Q13133 7/20 0.44
TP53 P04637 5/20 0.43
HTR2C P28335 2/20 0.43
SIRT1 Q96EB6 1/20 0.43
LMNA P02545 2/20 0.43

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
SCHEMBL7414043 0.91 HTR6 (0.47) HTR6MAPTTP53LMNA
SCHEMBL7402536 0.86 HTR1D (0.57) HTR2AHTR6HTR7MAPTTP53
SCHEMBL7463173 0.85 CGAS (0.38) HTR2AHTR6HTR1AHTR7MAPT
SCHEMBL3800074 0.85 MAPT (0.42) HTR6MAPTTP53LMNA
SCHEMBL7403630 0.84 CYP19A1 (0.50) HTR6MAPTTP53
SCHEMBL7410085 0.84 KMT2A (0.49) HTR6MAPTTP53LMNA
SCHEMBL7407214 0.83 MAPT (0.40) HTR6MAPTTP53LMNA
SCHEMBL7415797 0.77 CYP2D6 (0.40) HTR6MAPTTP53LMNA
SCHEMBL23657201 0.72 KMT2A (0.64) HTR2AHTR1AMAPTHTR2CSIRT1
SCHEMBL4905222 0.72 VPS4B (0.47) HTR2AHTR6HTR1AMAPTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4257952-A PSYCHOTROPIC DRUGS, ANALGESICS, ANTIHISTAMINES STERLING DRUG INC. (US) 1981-03-24 US disclosed
US-4172834-A ANALGESICS, ANTIHISTAMINES AND PSYCHOTROPIC AGENTS STERLING DRUG INC. (US) 1979-10-30 US disclosed
US-4062864-A ANALGESIC, PSYCHOTROPIC, ANTIHISTAMINE STERLING DRUG INC. (US) 1977-12-13 US disclosed
US-3959309-A ANALGESICS, PSYCHOTROPIC, ANTIHISTAMINE STERLING DRUG INC. (US) 1976-05-25 US disclosed