SCHEMBL12810909

SCHEMBL12810909

CCc1cccc2c(CCNc3ccc(Nc4ccnc5c4CCC5O)c(OC)c3F)c[nH]c12

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
EGFR P00533 1/20 0.34
CDK2 P24941 2/20 0.32
UTS2R Q9UKP6 1/20 0.31
RAB9A P51151 2/20 0.30
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
NPC1 O15118 1/20 0.30
ATM Q13315 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL12810915 0.95 EGFR (0.33) MTNR1AMTNR1BEGFRCDK2MEN1
SCHEMBL8041506 0.92 USP2 (0.34) MTNR1AMTNR1BCDK2MEN1KMT2A
SCHEMBL8051632 0.92 MTNR1A (0.41) MTNR1AMTNR1BEGFRCDK2UTS2R
SCHEMBL12810903 0.91 MTNR1A (0.36) MTNR1AMTNR1BEGFRCDK2UTS2R
SCHEMBL12811070 0.91 HTT (0.38) MTNR1AMTNR1BEGFRCDK2ALDH1A1
SCHEMBL12811046 0.89 MTNR1A (0.33) MTNR1AMTNR1BCDK2
SCHEMBL8044295 0.89 USP2 (0.32) MTNR1AMTNR1B
SCHEMBL8042392 0.88 CDK2 (0.42) CDK2MEN1KMT2A
SCHEMBL8048113 0.83 MTNR1A (0.41) MTNR1AMTNR1BCDK2MEN1KMT2A
SCHEMBL12810902 0.80

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2203440-B1 INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 JANSSEN PHARMACEUTICA NV (BE) 2011-03-23 EP disclosed