SCHEMBL8701236

SCHEMBL8701236

NC(=O)C1CCCCN1C(=O)CNS(=O)(=O)c1cccc2cccnc12

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.55
TSHR P16473 4/20 0.55
ALOX15 P16050 2/20 0.53
ALDH1A1 P00352 6/20 0.49
MAPT P10636 2/20 0.49
GFER P55789 2/20 0.49
POLB P06746 1/20 0.49
RECQL P46063 1/20 0.49
LMNA P02545 2/20 0.49
MCOLN3 Q8TDD5 1/20 0.49
HTR7 P34969 1/20 0.49
PREP P48147 1/20 0.47
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
PPARG P37231 1/20 0.45
LDHA P00338 1/20 0.44
HCRTR1 O43613 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL9225350 0.88 TSHR (0.54) HPGDTSHRALOX15ALDH1A1MAPT
Hydrochloric Acid SCHEMBL7298291 0.87 TSHR (0.53) HPGDTSHRALOX15ALDH1A1MAPT
SCHEMBL7296629 0.83 HPGD (0.49) HPGDTSHRALOX15ALDH1A1MAPT
SCHEMBL7338507 0.82 ALDH1A1 (0.48) HPGDTSHRALOX15ALDH1A1MAPT
Hydrochloric Acid SCHEMBL7293117 0.76 GAA (0.42) HPGDTSHRALOX15ALDH1A1MAPT
SCHEMBL8696363 0.76 F2 (0.56) ALDH1A1LMNAHTT
SCHEMBL8701245 0.74 TSHR (0.52) HPGDTSHRALOX15ALDH1A1MAPT
SCHEMBL7468069 0.74 PPARG (0.64) TSHRALOX15ALDH1A1POLBHTT
SCHEMBL5622664 0.73 SMN1; SMN2 (0.64) TSHRALOX15ALDH1A1POLBHTT
SCHEMBL8654838 0.72 PREP (0.71) PREP

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
US-5741792-A ANTICOAGULANTS OF SULFONAMIDO HETEROCYCLIC THROMBIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-04-21 US disclosed
US-5741799-A ANTICOAGULANTS OF SULFONAMIDO HETEROCYCLIC THROMBIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-04-21 US disclosed