SCHEMBL4718399

SCHEMBL4718399

COc1ccccc1CN1Cc2ccccc2N=C1NCc1cccnc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.51
ALDH1A1 P00352 5/20 0.45
KMT2A Q03164 3/20 0.45
CYP1A2 P05177 7/20 0.43
CYP3A4 P08684 7/20 0.43
CYP2D6 P10635 7/20 0.43
CYP2C19 P33261 7/20 0.43
HSD17B10 Q99714 7/20 0.43
ALOX15 P16050 5/20 0.43
TDP1 Q9NUW8 1/20 0.43
CLK4 Q9HAZ1 4/20 0.42
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.41
PKM P14618 1/20 0.41
VNN1 O95497 1/20 0.41
FYN P06241 1/20 0.41
USP2 O75604 3/20 0.41
TSHR P16473 3/20 0.41
NAMPT P43490 1/20 0.41

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
Acetic Acid SCHEMBL3195788 0.95 MAPK1 (0.53) MAPK1ALDH1A1KMT2ACYP1A2CYP3A4
SCHEMBL4761613 0.81 GRIN2B (0.38) MAPK1ALDH1A1KMT2ACYP1A2CYP3A4
Hydrochloric Acid SCHEMBL3211777 0.81 LMNA (0.42) MAPK1ALDH1A1KMT2ALMNAKDM4E
SCHEMBL4715918 0.81 MEN1 (0.42) MAPK1ALDH1A1KMT2ACYP1A2CYP3A4
Hydrochloric Acid SCHEMBL3211750 0.80 MEN1 (0.41) MAPK1ALDH1A1KMT2ACYP1A2CYP3A4
SCHEMBL4715041 0.79 EGFR (0.39) MAPK1ALDH1A1KMT2ACYP1A2CYP3A4
SCHEMBL4717313 0.79 CYP1A2 (0.51) MAPK1ALDH1A1KMT2ACYP1A2CYP3A4
SCHEMBL3214830 0.79 GRIN2B (0.40) MAPK1ALDH1A1KMT2ACYP2D6TDP1
Hydrochloric Acid SCHEMBL3214937 0.79 EGFR (0.38) MAPK1ALDH1A1KMT2ACYP1A2CYP3A4
SCHEMBL4713958 0.79 TLR7 (0.46) ALDH1A1CYP1A2CYP3A4CYP2D6TSHR

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-1917245-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS Abbott GmbH & Co. KG (DE) 2008-05-07 EP disclosed
WO-2007022946-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBOTT GMBH & CO. KG (DE) 2007-03-01 WO disclosed