SCHEMBL1388083

SCHEMBL1388083

O=C(O)CCN1Cc2ccccc2-n2ccnc2C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.44
HRH1 P35367 2/20 0.44
KDM4E B2RXH2 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 2/20 0.43
POLB P06746 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ESR1 P03372 1/20 0.42
TSHR P16473 2/20 0.39
ALOX15 P16050 2/20 0.39
SIRT1 Q96EB6 1/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
NOTUM Q6P988 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL1388134 0.80 KDM4E (0.43) HTR2AHRH1KDM4EMEN1KMT2A
SCHEMBL8798458 0.80 TSHR (0.40) HTR2AHRH1MEN1KMT2AMAPT
SCHEMBL16207990 0.78 TSHR (0.38) KDM4ETSHRNOTUMALDH1A1RIPK1
Hydrochloric Acid SCHEMBL6986394 0.74 KDM4E (0.54) HTR2AHRH1KDM4EMEN1KMT2A
SCHEMBL1387873 0.73 RIPK1 (0.37) HTR2AHRH1MEN1KMT2AMAPT
SCHEMBL1387868 0.72 TSHR (0.35) KDM4EMEN1KMT2AMAPTL3MBTL1
SCHEMBL4019735 0.71 HPGD (0.34) TSHRSMN1; SMN2NOTUMRIPK1
SCHEMBL3762487 0.68 MAPK1 (0.49) MAPTPOLBHDAC1
SCHEMBL10780626 0.67 SRD5A1 (0.41) HTR2AHRH1KDM4EMEN1KMT2A
SCHEMBL18350824 0.67 MEN1 (0.62) HTR2AKDM4EMEN1KMT2AMAPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-H09501158-A 1997-02-04 JP claimed
WO-1995004057-A1 TRICYCLIC INHIBITORS OF THE GPIIbIIIa RECEPTOR GENENTECH, INC. (US) 1995-02-09 WO claimed
EP-0708775-B1 TRICYCLIC INHIBITORS OF THE GPII b III a RECEPTOR GENENTECH INC (US) 1997-05-28 EP disclosed
EP-0708775-A1 TRICYCLIC INHIBITORS OF THE GPII b III a RECEPTOR GENENTECH INC (US) 1996-05-01 EP disclosed
US-5493020-A ANTICOAGULANTS GENENTECH, INC. (US) 1996-02-20 US disclosed
WO-1995004057-A1 TRICYCLIC INHIBITORS OF THE GPIIbIIIa RECEPTOR GENENTECH, INC. (US) 1995-02-09 WO disclosed