SCHEMBL6589527

SCHEMBL6589527

Nc1ccc(Cl)cn1.O=C(Nc1ccc(Cl)cn1)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.49
MEN1 O00255 6/20 0.49
RECQL P46063 1/20 0.49
RAB9A P51151 6/20 0.46
MAPT P10636 6/20 0.46
POLB P06746 2/20 0.46
NPC1 O15118 4/20 0.45
TSHR P16473 1/20 0.45
CYP1A2 P05177 2/20 0.45
GAA P10253 1/20 0.45
CGAS Q8N884 1/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
AHR P35869 1/20 0.45
CYP2C19 P33261 1/20 0.44
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
PTK2 Q05397 1/20 0.43
ALDH1A1 P00352 1/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42

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
SCHEMBL3695255 0.94 KMT2A (0.54) KMT2AMEN1RECQLRAB9AMAPT
SCHEMBL31436853 0.80 MAPT (0.60) KMT2AMEN1RAB9AMAPTNPC1
SCHEMBL17831407 0.77 KMT2A (0.51) KMT2AMEN1RECQLRAB9AMAPT
SCHEMBL29489449 0.76 RAB9A (0.66) KMT2AMEN1RAB9AMAPTNPC1
SCHEMBL59952 0.76 RAB9A (0.66) KMT2AMEN1RAB9AMAPTNPC1
SCHEMBL2082944 0.75 KMT2A (0.58) KMT2AMEN1RAB9AMAPTNPC1
SCHEMBL2477935 0.74 NPC1 (0.57) KMT2AMEN1RAB9AMAPTNPC1
SCHEMBL6297661 0.74 RAB9A (0.72) KMT2AMEN1RAB9AMAPTPOLB
SCHEMBL30825949 0.73 MAPT (0.50) KMT2AMEN1RAB9AMAPTPOLB
SCHEMBL3069292 0.73 MAPT (0.50) KMT2AMEN1RAB9AMAPTPOLB

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-1465864-A1 INHIBITORS OF FACTOR XA AND OTHER SERINE PROTEASES INVOLVED IN THE COAGULATION CASCADE Warner-Lambert Company LLC (US) 2004-10-13 EP disclosed
WO-2003045912-A1 INHIBITORS OF FACTOR XA AND OTHER SERINE PROTEASES INVOLVED IN THE COAGULATION CASCADE WARNER-LAMBERT COMPANY LLC (US) 2003-06-05 WO disclosed