SCHEMBL8028182

SCHEMBL8028182

NCc1ccc(S(=O)(=O)c2ccccc2)cc1N

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 7/20 0.50
LOX P28300 5/20 0.49
ALDH1A1 P00352 2/20 0.49
PKM P14618 1/20 0.49
MAPT P10636 2/20 0.47
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
LOXL2 Q9Y4K0 2/20 0.46
MAOA P21397 1/20 0.46
GAA P10253 1/20 0.46
LMNA P02545 2/20 0.44
HTR2C P28335 2/20 0.43
HTR2A P28223 1/20 0.43
MPO P05164 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
HTR2B P41595 1/20 0.41

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
SCHEMBL27511614 0.91 MAPT (0.53) HTR6LOXALDH1A1PKMMAPT
SCHEMBL30166976 0.80 HTR6 (0.74) HTR6LOXALDH1A1PKMMAPT
SCHEMBL950448 0.80 HTR6 (0.74) HTR6LOXALDH1A1PKMMAPT
SCHEMBL8026758 0.78 KMT2A (0.51) HTR6LOXALDH1A1PKMMAPT
SCHEMBL1503399 0.77 GAA (0.55) HTR6ALDH1A1PKMMAPTPOLB
SCHEMBL28784731 0.76 HTR6 (0.52) HTR6LOXALDH1A1PKMMAPT
SCHEMBL13147946 0.76 HTR6 (0.50) HTR6LOXALDH1A1MAPTPOLB
SCHEMBL11645123 0.75 PRMT1 (0.58) CYP2C9
SCHEMBL4615892 0.75 HTR6 (0.52) HTR6ALDH1A1PKMMAPTPOLB
SCHEMBL1368816 0.75 ALDH1A1 (0.64) HTR6ALDH1A1PKMMAPTPOLB

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-1060166-A1 FIVE-MEMBERED, BENZO-CONDENSED HETEROCYCLES USED AS ANTITHROMBOTIC AGENTS Boehringer Ingelheim Pharma KG (DE) 2000-12-20 EP disclosed
US-6114532-A ANTICOAGULANT BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-09-05 US disclosed
WO-1999040072-A1 FIVE-MEMBERED, BENZO-CONDENSED HETEROCYCLES USED AS ANTITHROMBOTIC AGENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-08-12 WO disclosed