SCHEMBL9953391

SCHEMBL9953391

COc1ncc(Br)cc1S(=O)(=O)NCc1ccco1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.54
ALDH1A1 P00352 6/20 0.53
LMNA P02545 2/20 0.53
MAPK1 P28482 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
TDP1 Q9NUW8 1/20 0.49
TP53 P04637 1/20 0.48
TSHR P16473 3/20 0.48
MAPT P10636 3/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
ALOX12 P18054 1/20 0.48
KDM4E B2RXH2 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
RXFP1 Q9HBX9 1/20 0.45

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
SCHEMBL9953081 0.83 NAMPT (0.37) POLBSMN1; SMN2
SCHEMBL9953570 0.81 LMNA (0.55) POLBALDH1A1LMNAMAPK1MAPT
SCHEMBL9952709 0.81 SMN1; SMN2 (0.36) POLBTP53MAPTSMN1; SMN2
SCHEMBL9955026 0.80 TSHR (0.55) POLBALDH1A1LMNAMAPK1NPSR1
SCHEMBL14305923 0.78 SMN1; SMN2 (0.57) POLBALDH1A1TSHRKDM4ESMN1; SMN2
SCHEMBL9955406 0.75 GLA (0.42) POLBSMN1; SMN2
SCHEMBL10289140 0.74 KMT2A (0.44) ALDH1A1LMNAMAPTHPGDKDM4E
SCHEMBL9954692 0.73 SHMT2 (0.42) POLBALDH1A1LMNASMN1; SMN2
SCHEMBL9954303 0.73 PLA2G1B (0.41) POLBSMN1; SMN2
SCHEMBL10289139 0.73 GAA (0.55) POLBALDH1A1NPSR1TSHRMAPT

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
WO-2012087938-A1 QUINAZOLINONE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-06-28 WO disclosed