SCHEMBL7389758

SCHEMBL7389758

Cc1c(NS(=O)(=O)c2cccc3cccnc23)ccc2[nH]c(SCc3ccc(C#N)cc3)nc12

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 2/20 0.47
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
ATM Q13315 1/20 0.45
SLC40A1 Q9NP59 5/20 0.45
TSHR P16473 1/20 0.44
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
NPC1 O15118 1/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GAA P10253 1/20 0.42
CTSB P07858 1/20 0.41
BRD4 O60885 1/20 0.41
SLC16A3 O15427 1/20 0.40
PKLR P30613 1/20 0.40

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
SCHEMBL7395865 0.86 ST14 (0.53) MEN1KMT2AATMSLC40A1TSHR
SCHEMBL7394637 0.84 GLO1 (0.48) GLO1MEN1KMT2AATMSLC40A1
SCHEMBL7394535 0.76 CKS1B (0.49) GLO1MEN1KMT2AATMSLC40A1
SCHEMBL6636395 0.71 F2 (0.58) GLO1MEN1KMT2AALDH1A1GAA
SCHEMBL6639447 0.71 PKM (0.50) GLO1MEN1KMT2AALDH1A1MAPT
SCHEMBL6572882 0.69 MEN1 (0.52) GLO1MEN1KMT2AATMALDH1A1
SCHEMBL852135 0.68 ST14 (0.70) GLO1MEN1KMT2AATMSLC40A1
SCHEMBL8016188 0.67 ALDH1A1 (0.49) GLO1MEN1KMT2AALDH1A1MAPT
SCHEMBL7391516 0.67 SLC40A1 (0.48) GLO1MEN1KMT2AATMSLC40A1
SCHEMBL8026334 0.67 F2 (0.55) MEN1KMT2AALDH1A1GAABRD4

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
EP-1100795-A1 DISUBSTITUTED BICYCLIC HETEROCYCLES HAVING, IN PARTICULAR, A THROMBIN INHIBITIVE EFFECT BOEHRINGER INGELHEIM ZENTRALE GMBH (DE) 2001-05-23 EP disclosed
WO-2000008014-A1 DISUBSTITUTED BICYCLIC HETEROCYCLES HAVING, IN PARTICULAR, A THROMBIN INHIBITIVE EFFECT BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-02-17 WO disclosed