SCHEMBL6980648

SCHEMBL6980648

O=S(=O)(Nc1ccc2ncccc2c1)c1cccc(Br)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.65
SMN1; SMN2 Q16637 3/20 0.65
ALDH1A1 P00352 2/20 0.65
PFKFB3 Q16875 1/20 0.56
NPC1 O15118 3/20 0.56
CASP3 P42574 1/20 0.56
RAB9A P51151 1/20 0.56
SENP8 Q96LD8 1/20 0.56
SENP7 Q9BQF6 1/20 0.56
SENP6 Q9GZR1 1/20 0.56
PTPN2 P17706 1/20 0.54
PTPN1 P18031 1/20 0.54
PTPN5 P54829 1/20 0.54
HSD17B2 P37059 2/20 0.53
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
MAPT P10636 2/20 0.52
HTT P42858 1/20 0.52
PGR P06401 1/20 0.51
BRD4 O60885 1/20 0.50

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
SCHEMBL6982196 0.87 ALDH1A1 (0.76) LMNASMN1; SMN2ALDH1A1PFKFB3NPC1
SCHEMBL6985862 0.85 ALDH1A1 (0.78) LMNASMN1; SMN2ALDH1A1PFKFB3NPC1
SCHEMBL6980375 0.85 LMNA (0.65) LMNASMN1; SMN2ALDH1A1PFKFB3PTPN2
SCHEMBL6979083 0.83 SMN1; SMN2 (0.74) LMNASMN1; SMN2ALDH1A1PFKFB3PTPN2
SCHEMBL2055421 0.79 ALDH1A1 (0.68) LMNASMN1; SMN2ALDH1A1PFKFB3NPC1
SCHEMBL6978649 0.79 ALDH1A1 (1.00) LMNASMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL6981076 0.79 ALDH1A1 (0.76) LMNASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL6978003 0.79 ALDH1A1 (0.76) LMNASMN1; SMN2ALDH1A1PFKFB3RAB9A
SCHEMBL12808857 0.78 HDAC1 (0.64) LMNASMN1; SMN2ALDH1A1BRD4NAMPT
SCHEMBL14433749 0.77 HSD17B2 (0.66) PTPN2PTPN1PTPN5HSD17B2PGR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0991624-B1 PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT BOEHRINGER INGELHEIM PHARMA (DE) 2003-11-19 EP disclosed
US-6300342-B1 FOR THERAPY OR INHIBITING THROMBUS FORMATION; FOR THERAPY OF FIBRIN-DEPENDENT INFLAMMATORY CONDITION BOEHRINGER INGELHEIM PHARM KG (DE) 2001-10-09 US disclosed
EP-0991624-A1 PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT Boehringer Ingelheim Pharma KG (DE) 2000-04-12 EP disclosed
WO-1999000371-A1 PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-01-07 WO disclosed