SCHEMBL6986051

SCHEMBL6986051

O=S(=O)(Nc1ccc2cccnc2c1)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
ALDH1A1 P00352 4/20 0.61
SLC40A1 Q9NP59 10/20 0.54
G6PD P11413 1/20 0.54
NFKBIA P25963 1/20 0.54
AGTR1 P30556 1/20 0.54
METAP2 P50579 1/20 0.54
METAP1 P53582 1/20 0.54
GLO1 Q04760 1/20 0.54
PAX8 Q06710 1/20 0.54
ATM Q13315 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
PTPN2 P17706 2/20 0.53
PTPN1 P18031 2/20 0.53
PTPN5 P54829 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
HPGD P15428 2/20 0.53
KDM4E B2RXH2 1/20 0.53

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 0.88 ALDH1A1 (0.78) LMNASMN1; SMN2ALDH1A1SLC40A1G6PD
SCHEMBL2055443 0.85 CYP3A4 (0.61) LMNASMN1; SMN2ALDH1A1SLC40A1PTPN2
SCHEMBL27214308 0.84 GLO1 (0.55) LMNASMN1; SMN2ALDH1A1SLC40A1GLO1
SCHEMBL6979083 0.80 SMN1; SMN2 (0.74) LMNASMN1; SMN2ALDH1A1GLO1ATM
SCHEMBL25920736 0.79 GPR27 (0.73) LMNASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL2614387 0.79 SMN1; SMN2 (1.00) LMNASMN1; SMN2ALDH1A1ATMMEN1
SCHEMBL6984395 0.79 GLO1 (0.56) ALDH1A1GLO1PTPN2PTPN1PTPN5
SCHEMBL18553742 0.78 HTR6 (0.60) LMNASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL6978003 0.76 ALDH1A1 (0.76) LMNASMN1; SMN2ALDH1A1GLO1PTPN2
SCHEMBL6982196 0.76 ALDH1A1 (0.76) LMNASMN1; SMN2ALDH1A1TDP1PTPN2

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