SCHEMBL7395865

SCHEMBL7395865

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ST14 Q9Y5Y6 1/20 0.53
F2 P00734 2/20 0.49
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ATM Q13315 1/20 0.44
GAA P10253 1/20 0.43
ALDH1A1 P00352 3/20 0.42
SLC40A1 Q9NP59 4/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 2/20 0.41
PKLR P30613 1/20 0.41
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TSHR P16473 1/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL7389758 0.86 GLO1 (0.47) MEN1KMT2AATMGAAALDH1A1
SCHEMBL7392579 0.79 F2 (0.45) ST14F2KMT2AALDH1A1POLB
SCHEMBL6765251 0.72 F2 (0.59) ST14F2MEN1KMT2AGAA
SCHEMBL6636091 0.72 F2 (0.77) ST14F2MEN1KMT2AGAA
Hydrochloric Acid SCHEMBL8016170 0.71 F2 (0.63) ST14F2MEN1KMT2AGAA
Hydrochloric Acid SCHEMBL6640827 0.70 F2 (0.58) ST14F2MEN1KMT2AGAA
Hydrochloric Acid SCHEMBL6635034 0.70 F2 (0.60) ST14F2MEN1KMT2AGAA
SCHEMBL7394637 0.70 GLO1 (0.48) MEN1KMT2AATMGAAALDH1A1
SCHEMBL852138 0.69 ST14 (1.00) ST14F2MEN1KMT2AATM
SCHEMBL7395993 0.69 ALDH1A1 (0.37) F2KMT2AGAAALDH1A1MAPT

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