SCHEMBL1742891

SCHEMBL1742891

O=C(c1ccccc1)N(Oc1ccc2[nH]ccc2c1)S(=O)(=O)c1cccc2cnccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
P2RX7 Q99572 14/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
CAMK2D Q13557 1/20 0.39
P2RX4 Q99571 1/20 0.39
CAMK2A Q9UQM7 1/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
GPBAR1 Q8TDU6 1/20 0.37
KDM4E B2RXH2 1/20 0.37
PRKD3 O94806 1/20 0.37
PRKCG P05129 1/20 0.37

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
SCHEMBL1744608 0.80 SLC6A2 (0.46) MAOAMAPTSLC6A2SLC6A4SLC6A3
SCHEMBL1742890 0.78 MAPT (0.43) MAOAMAPTSLC6A2SLC6A4SLC6A3
SCHEMBL1742889 0.74 GPBAR1 (0.44) MAOAMAOBP2RX7SMN1; SMN2LMNA
SCHEMBL1745461 0.73 ESR1 (0.45) MAOBSMN1; SMN2LMNAMAPTSLC6A2
SCHEMBL8602640 0.63 KMT2A (0.64) MAOAMAPT
SCHEMBL30539980 0.62 ROCK2 (0.62) ROCK2ROCK1P2RX7ALDH1A1SMN1; SMN2
SCHEMBL9016177 0.62 ROCK2 (0.62) ROCK2ROCK1P2RX7ALDH1A1SMN1; SMN2
SCHEMBL19852901 0.62 ROCK2 (0.62) ROCK2ROCK1P2RX7SMN1; SMN2LMNA
SCHEMBL5698943 0.62 P2RX7 (0.52) ROCK2ROCK1P2RX7ALDH1A1SMN1; SMN2
SCHEMBL29566137 0.62 P2RX7 (0.52) ROCK2ROCK1P2RX7ALDH1A1SMN1; SMN2

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-2387560-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES Abbott Laboratories (US) 2011-11-23 EP claimed
US-8042193-B1 Systems and methods for controlling data access by use of a universal anonymous identifier Albright Associates (US) 2011-10-18 US claimed
WO-2010083441-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2010-07-22 WO claimed