SCHEMBL7414043

SCHEMBL7414043

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

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.47
MAPT P10636 10/20 0.46
TP53 P04637 6/20 0.46
LMNA P02545 4/20 0.46
THRB P10828 2/20 0.45
RB1 P06400 1/20 0.43
HTR1D P28221 1/20 0.43
HTR1B P28222 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
BAZ2B Q9UIF8 1/20 0.42

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
SCHEMBL7410787 0.91 HTR2A (0.47) HTR6MAPTTP53LMNA
SCHEMBL7402536 0.90 HTR1D (0.57) HTR6MAPTTP53LMNATHRB
SCHEMBL3800074 0.88 MAPT (0.42) HTR6MAPTTP53LMNATHRB
SCHEMBL7403630 0.88 CYP19A1 (0.50) HTR6MAPTTP53RB1
SCHEMBL7410085 0.88 KMT2A (0.49) HTR6MAPTTP53LMNAHTR1D
SCHEMBL7407214 0.87 MAPT (0.40) HTR6MAPTTP53LMNATHRB
SCHEMBL7415797 0.81 CYP2D6 (0.40) HTR6MAPTTP53LMNAKMT2A
SCHEMBL7463173 0.81 CGAS (0.38) HTR6MAPTTP53LMNA
SCHEMBL4905222 0.76 VPS4B (0.47) HTR6MAPTTP53LMNA
SCHEMBL7410694 0.75 HTR6 (0.37) HTR6TP53RB1

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