SCHEMBL7394384

SCHEMBL7394384

N#Cc1ccc(OCc2nc3ccc(N)cc3[nH]2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.56
MAPT P10636 6/20 0.56
KMT2A Q03164 4/20 0.56
MEN1 O00255 3/20 0.56
GAA P10253 3/20 0.56
ALDH1A1 P00352 2/20 0.56
LMNA P02545 2/20 0.56
HTT P42858 2/20 0.56
PKM P14618 3/20 0.51
KDM4E B2RXH2 3/20 0.51
TDP1 Q9NUW8 3/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
RAB9A P51151 8/20 0.51
GRIN1 Q05586 2/20 0.50
GRIN2B Q13224 2/20 0.50
NPC1 O15118 6/20 0.48
TP53 P04637 2/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.47
RAD52 P43351 1/20 0.47

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
SCHEMBL7394379 0.90 SMN1; SMN2 (0.48) SMN1; SMN2MAPTKMT2AMEN1GAA
SCHEMBL30354865 0.75 NPC1 (0.77) SMN1; SMN2MAPTKMT2AMEN1GAA
SCHEMBL1662880 0.74 MEN1 (0.77) SMN1; SMN2MAPTKMT2AMEN1GAA
SCHEMBL22080088 0.74 RAB9A (0.67) SMN1; SMN2MAPTKMT2AMEN1GAA
SCHEMBL31687019 0.73 RAB9A (0.68) SMN1; SMN2KMT2AMEN1GAAALDH1A1
SCHEMBL7395650 0.73 SMN1; SMN2 (0.54) SMN1; SMN2MAPTKMT2AMEN1GAA
SCHEMBL7379409 0.72 SMN1; SMN2 (0.42) SMN1; SMN2MAPTKMT2AMEN1GAA
SCHEMBL7655135 0.72 RAD52 (0.61) SMN1; SMN2MAPTKMT2AMEN1ALDH1A1
SCHEMBL7690590 0.72 RAB9A (0.84) SMN1; SMN2MAPTKMT2AMEN1GAA
SCHEMBL6640374 0.72 KCNJ1 (0.53) SMN1; SMN2MAPTKMT2AMEN1GAA

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