SCHEMBL9534287

SCHEMBL9534287

CN1CCc2c(Cl)cc(Cl)c3sc(CNC(=O)CCc4ccccc4)c(c23)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.40
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
ALDH1A1 P00352 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 2/20 0.39
TP53 P04637 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
MALT1 Q9UDY8 1/20 0.38
THRB P10828 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
ERCC1 P07992 1/20 0.38

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
SCHEMBL9534888 0.87 PRMT5 (0.41) ADORA1ADRA2AADRA2BADRA2CADRA1D
SCHEMBL9533257 0.86 ADRA2A (0.57) ADORA1ADRA2AADRA2BADRA2CADRA1D
SCHEMBL9534803 0.85 KAT2B (0.40) ADORA1ADRA2AADRA2BADRA2CADRA1D
SCHEMBL9535094 0.80 ALDH1A1 (0.44) ADORA1ADRA2AADRA2BADRA2CADRA1D
SCHEMBL9376562 0.74 ADRA1D (0.50) ADORA1ADRA2AADRA2BADRA2CADRA1D
SCHEMBL9535318 0.74 ADRA1A (0.39) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9533999 0.71 ALDH1A1 (0.45) ADORA1ADRA2AADRA1AALDH1A1L3MBTL1
SCHEMBL9533309 0.71 ADRA1D (0.68) ADORA1ADRA2AADRA2BADRA2CADRA1D
SCHEMBL9535724 0.71 ADRA2A (0.61) ADORA1ADRA2AADRA2BADRA2CADRA1D
SCHEMBL9534502 0.67 ADRA2A (0.56) ADORA1ADRA2AADRA2BADRA2CADRA1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0384677-B1 Alpha-adrenergic receptor antagonists SMITHKLINE BEECHAM CORP (US) 1993-12-01 EP disclosed
US-4981848-A CARDIOVASCULAR, HYPOTENSIVE, ANTIDEPRESSANT SMITHKLINE BEECHAM CORPORATION (US) 1991-01-01 US disclosed
EP-0384677-A1 Alpha-adrenergic receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1990-08-29 EP disclosed