SCHEMBL7393202

SCHEMBL7393202

Cc1c(NS(=O)(=O)CC2CCCCC2)ccc2[nH]c(COc3ccc(C#N)cc3)nc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.42
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
PDE9A O76083 1/20 0.33
KAT7 O95251 1/20 0.32
PKM P14618 1/20 0.32
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CNR1 P21554 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
ACACB O00763 1/20 0.32
MCHR1 Q99705 1/20 0.32
ERN1 O75460 1/20 0.31
CCR2 P41597 1/20 0.31

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
SCHEMBL7379409 0.72 SMN1; SMN2 (0.42) SMN1; SMN2MEN1ALDH1A1LMNAMAPT
SCHEMBL7379738 0.72 SMN1; SMN2 (0.40) SMN1; SMN2MEN1ALDH1A1LMNAMAPT
SCHEMBL7396002 0.71 CKS1B (0.49) SMN1; SMN2MEN1ALDH1A1LMNAMAPT
SCHEMBL6635646 0.67 PPARG (0.43) SMN1; SMN2MEN1ALDH1A1LMNAKMT2A
SCHEMBL7448981 0.65 ALDH1A1 (0.43) SMN1; SMN2MEN1ALDH1A1LMNAMAPT
SCHEMBL7398244 0.65 KEAP1 (0.42) SMN1; SMN2MEN1ALDH1A1LMNAMAPT
SCHEMBL4513023 0.62 SMN1; SMN2 (0.48) SMN1; SMN2MEN1ALDH1A1LMNAMAPT
SCHEMBL8554556 0.61 NPY1R (0.51)
SCHEMBL7690658 0.60 RAB9A (0.56) SMN1; SMN2MEN1ALDH1A1LMNAMAPT
SCHEMBL7395648 0.60 LMNA (0.60) SMN1; SMN2MEN1ALDH1A1LMNAMAPT

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