SCHEMBL6982196

SCHEMBL6982196

O=S(=O)(Nc1ccc2ncccc2c1)c1ccc(Br)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.76
LMNA P02545 3/20 0.76
SMN1; SMN2 Q16637 3/20 0.76
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
NPC1 O15118 2/20 0.56
TDP1 Q9NUW8 1/20 0.56
KDM4E B2RXH2 1/20 0.52
ALPL P05186 1/20 0.52
PPARG P37231 1/20 0.52
ALOX12 P18054 1/20 0.52
HSD17B2 P37059 1/20 0.51
NAMPT P43490 1/20 0.51
MAPT P10636 2/20 0.51
HTT P42858 2/20 0.51
PFKFB3 Q16875 1/20 0.50
ESR1 P03372 1/20 0.50
PTPN2 P17706 1/20 0.50
PTPN1 P18031 1/20 0.50
PTPN5 P54829 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
SCHEMBL6985862 0.87 ALDH1A1 (0.78) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL6980648 0.87 LMNA (0.65) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL6981076 0.86 ALDH1A1 (0.76) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL6978649 0.86 ALDH1A1 (1.00) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL6978003 0.86 ALDH1A1 (0.76) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL6979083 0.85 SMN1; SMN2 (0.74) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL1040688 0.83 ALDH1A1 (0.75) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL5340962 0.81 ALDH1A1 (0.72) ALDH1A1LMNASMN1; SMN2KMT2AKDM4E
SCHEMBL2055421 0.81 ALDH1A1 (0.68) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL9237538 0.80 ALDH1A1 (0.67) ALDH1A1LMNASMN1; SMN2MEN1KMT2A

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