SCHEMBL8031508

SCHEMBL8031508

COC(=O)c1c(CC(C)C)nc(-c2ccc(Cl)cc2)nc1OC(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.46
NAMPT P43490 1/20 0.38
NPSR1 Q6W5P4 3/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
NFKB1 P19838 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
DHODH Q02127 1/20 0.36
KDM4E B2RXH2 2/20 0.36
TP53 P04637 1/20 0.36
MDM2 Q00987 1/20 0.36
PKM P14618 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
SCHEMBL8031087 0.88 ATM (0.51) ATMNAMPTNPSR1HPGDTSHR
SCHEMBL8024878 0.88 NAMPT (0.40) NAMPTNPSR1HPGDTSHRSMN1; SMN2
SCHEMBL8038367 0.86 SMN1; SMN2 (0.40) NAMPTNPSR1HPGDTSHRSMN1; SMN2
SCHEMBL8037630 0.86 NAMPT (0.40) ATMNAMPTNPSR1HPGDTSHR
SCHEMBL8034467 0.85 CNR1 (0.44) NAMPTCNR2CNR1SLC6A3
SCHEMBL8032664 0.85 CNR2 (0.42) NAMPTNPSR1HPGDTSHRSMN1; SMN2
SCHEMBL4010086 0.83 ATM (0.46) ATMNAMPTNPSR1HPGDTSHR
SCHEMBL8023419 0.82 NPSR1 (0.39) NAMPTNPSR1HPGDTSHRSMN1; SMN2
SCHEMBL8040669 0.82 NPSR1 (0.42) NAMPTNPSR1HPGDTSHRSMN1; SMN2
SCHEMBL8041741 0.81 NPSR1 (0.42) NAMPTNPSR1HPGDTSHRSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009080248-A1 SUBSTITUTED 2-PHENYLPYRIMIDINE-5-CARBOXYLIC ACIDS AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-07-02 WO disclosed