SCHEMBL4714040

SCHEMBL4714040

COc1cccc(OC)c1CN1Cc2ccccc2N=C1NCc1cccc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HCRTR1 O43613 3/20 0.39
HCRTR2 O43614 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CETP P11597 1/20 0.38
SMPD1 P17405 1/20 0.38
ACHE P22303 2/20 0.37
AURKA O14965 1/20 0.37
SOS1 Q07889 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 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
Hydrochloric Acid SCHEMBL3218715 0.99 MEN1 (0.41) MEN1KMT2AHCRTR1HCRTR2CYP1A2
SCHEMBL4715918 0.93 MEN1 (0.42) MEN1KMT2AHCRTR1HCRTR2CYP1A2
Hydrochloric Acid SCHEMBL3211750 0.92 MEN1 (0.41) MEN1KMT2AHCRTR1HCRTR2CYP1A2
SCHEMBL4715041 0.85 EGFR (0.39) MEN1KMT2ACYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL3214937 0.84 EGFR (0.38) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL4717086 0.82 SMN1; SMN2 (0.42) MEN1KMT2ACYP1A2TDP1KDM4E
Hydrochloric Acid SCHEMBL3198075 0.81 SMN1; SMN2 (0.43) MEN1KMT2ACYP1A2TDP1KDM4E
SCHEMBL4715098 0.75 HPGD (0.42) MEN1KMT2AALDH1A1AURKA
SCHEMBL4717313 0.75 CYP1A2 (0.51) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL4761613 0.74 GRIN2B (0.38) MEN1KMT2ACYP1A2CYP3A4CYP2D6

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