SCHEMBL8701232

SCHEMBL8701232

O=C(CNS(=O)(=O)c1cccc2cccnc12)NC(=O)C1CCCCN1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
LMNA P02545 1/20 0.49
MCOLN3 Q8TDD5 1/20 0.49
HPGD P15428 5/20 0.48
TSHR P16473 3/20 0.48
ALOX15 P16050 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAPT P10636 2/20 0.45
POLB P06746 2/20 0.45
RECQL P46063 1/20 0.45
MAPK1 P28482 1/20 0.45
PPARG P37231 1/20 0.45
HTR7 P34969 1/20 0.44
KMT2A Q03164 1/20 0.44
NPY5R Q15761 1/20 0.43

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
SCHEMBL9225361 0.81 HPGD (0.50) ALDH1A1LMNAMCOLN3HPGDTSHR
Hydrochloric Acid SCHEMBL7298300 0.80 HPGD (0.49) ALDH1A1LMNAMCOLN3HPGDTSHR
SCHEMBL8696361 0.76 CTSS (0.50) ALDH1A1LMNAKMT2ANPY5R
SCHEMBL7468069 0.74 PPARG (0.64) ALDH1A1TSHRALOX15SMN1; SMN2POLB
SCHEMBL5622664 0.73 SMN1; SMN2 (0.64) ALDH1A1TSHRALOX15SMN1; SMN2POLB
SCHEMBL5442531 0.70 HIF1A (0.55) ALDH1A1HPGDSMN1; SMN2MAPTPOLB
SCHEMBL28243675 0.70 HIF1A (0.55) ALDH1A1HPGDSMN1; SMN2MAPTPOLB
SCHEMBL14796802 0.70 HIF1A (0.55) ALDH1A1HPGDSMN1; SMN2MAPTPOLB
SCHEMBL8701236 0.69 HPGD (0.55) ALDH1A1LMNAMCOLN3HPGDTSHR
SCHEMBL9225350 0.69 TSHR (0.54) ALDH1A1LMNAMCOLN3HPGDTSHR

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