SCHEMBL1388134

SCHEMBL1388134

O=C(O)CCN1Cc2ccccc2-n2cnnc2C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALOX15 P16050 2/20 0.39
TSHR P16473 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
NOTUM Q6P988 1/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
HSD17B10 Q99714 2/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
USP2 O75604 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HTR2A P28223 2/20 0.35

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
SCHEMBL1388083 0.80 HTR2A (0.44) KDM4EMAPTMEN1KMT2APOLB
SCHEMBL9485931 0.79 ALDH1A1 (0.55) KDM4EMEN1KMT2AALDH1A1LMNA
SCHEMBL2359604 0.78 NAMPT (0.40) NOTUMALDH1A1HDAC8RIPK1
Hydrochloric Acid SCHEMBL6986394 0.74 KDM4E (0.54) KDM4EMAPTMEN1KMT2APOLB
SCHEMBL9851802 0.71 CYP11B2 (0.41) KMT2ATSHRNOTUMALDH1A1RIPK1
SCHEMBL29500932 0.68 CYP1A2 (0.44) KDM4EMAPTMEN1KMT2ANOTUM
SCHEMBL11778334 0.67 CYP11B2 (0.54) MEN1KMT2AALOX15TSHRALDH1A1
SCHEMBL3477555 0.66 HDAC3 (0.70) KDM4EMAPTMEN1KMT2APOLB
SCHEMBL16993484 0.66 HDAC3 (0.55) KDM4EALOX15TSHRSIRT1ALDH1A1
SCHEMBL21061364 0.65 CYP11B2 (0.45) KDM4EMEN1KMT2AALOX15TSHR

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