SCHEMBL4715918

SCHEMBL4715918

COc1ccccc1CN1Cc2ccccc2N=C1NCc1cccc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HCRTR1 O43613 3/20 0.40
HCRTR2 O43614 3/20 0.40
USP2 O75604 2/20 0.40
LMNA P02545 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
TSHR P16473 2/20 0.40
CYP2C19 P33261 2/20 0.40
ALOX15 P16050 1/20 0.40
KDM1A O60341 1/20 0.39
GAA P10253 1/20 0.39
HSD17B10 Q99714 1/20 0.39
RCOR1 Q9UKL0 1/20 0.39
CYP2C9 P11712 1/20 0.38
HIF1A Q16665 1/20 0.38

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 SCHEMBL3211750 0.99 MEN1 (0.41) MEN1KMT2AALDH1A1KDM4EHCRTR1
SCHEMBL4714040 0.93 MEN1 (0.41) MEN1KMT2AALDH1A1KDM4EHCRTR1
Hydrochloric Acid SCHEMBL3218715 0.92 MEN1 (0.41) MEN1KMT2AALDH1A1KDM4EHCRTR1
SCHEMBL4761613 0.82 GRIN2B (0.38) MEN1KMT2AALDH1A1KDM4EUSP2
SCHEMBL4717313 0.82 CYP1A2 (0.51) MEN1KMT2AALDH1A1KDM4EUSP2
SCHEMBL3214830 0.81 GRIN2B (0.40) MEN1KMT2AALDH1A1KDM4ECYP2D6
SCHEMBL4713958 0.81 TLR7 (0.46) ALDH1A1CYP1A2CYP3A4CYP2D6TSHR
Hydrochloric Acid SCHEMBL3214679 0.81 CYP1A2 (0.53) MEN1KMT2AALDH1A1KDM4EUSP2
SCHEMBL4718399 0.81 MAPK1 (0.51) MEN1KMT2AALDH1A1KDM4EUSP2
Hydrochloric Acid SCHEMBL3210882 0.80 TLR7 (0.46) MEN1KMT2AALDH1A1CYP1A2SMN1; SMN2

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