SCHEMBL3919293

SCHEMBL3919293

COCCC1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
HPGD P15428 1/20 0.47
LMNA P02545 2/20 0.47
HTT P42858 2/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
USP5 P45974 1/20 0.46
EPHX2 P34913 1/20 0.46
POLB P06746 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MCOLN3 Q8TDD5 1/20 0.46
HDAC3 O15379 2/20 0.46
HDAC4 P56524 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC7 Q8WUI4 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC10 Q969S8 2/20 0.46

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
SCHEMBL15177556 0.87 ALDH1A1 (0.56) HPGDLMNAHTTMEN1KMT2A
SCHEMBL12646352 0.85 ALDH1A1 (0.60) HPGDLMNAHTTMAPTSMN1; SMN2
SCHEMBL12587434 0.85 HSD11B1 (0.63) TSHRLMNAMEN1KMT2AEPHX2
SCHEMBL3915621 0.82 ALDH1A1 (0.49) TSHRLMNAHTTMAPTMEN1
SCHEMBL3917525 0.81 TSHR (0.53) TSHRLMNAHTTKMT2AUSP5
SCHEMBL3924077 0.80 HSD11B1 (0.63) TSHRLMNAHTTMAPTSMN1; SMN2
SCHEMBL2839179 0.79 RAB9A (0.63) TSHRLMNAHTTMAPTSMN1; SMN2
SCHEMBL3917694 0.78 TSHR (0.55) TSHRLMNAHTTMEN1KMT2A
SCHEMBL3990199 0.78 POLB (0.51) TSHRLMNAHTTMAPTMEN1
SCHEMBL2839822 0.77 MEN1 (0.75) LMNAHTTSMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2035372-A1 MODULATORS OF THE HISTAMINE H3-RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2009-03-18 EP disclosed
WO-2008005338-A1 MODULATORS OF THE HISTAMINE H3-RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2008-01-10 WO disclosed