SCHEMBL4773081

SCHEMBL4773081

COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc3c(c2)CCN(C2CCC2)CC3)c1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AURKA O14965 8/20 0.56
TP53 P04637 2/20 0.55
LMNA P02545 3/20 0.55
MAPT P10636 3/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
ALDH1A1 P00352 2/20 0.55
USP2 O75604 1/20 0.55
HPGD P15428 1/20 0.55
HTT P42858 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
TAAR1 Q96RJ0 1/20 0.55
HSD17B10 Q99714 1/20 0.55
KDM4E B2RXH2 1/20 0.50

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
Trifluoroacetic Acid SCHEMBL4771910 0.96 AURKA (0.52) AURKATP53LMNAMAPTMEN1
SCHEMBL4771087 0.90 AURKA (0.58) AURKATP53LMNAMAPTMEN1
Trifluoroacetic Acid SCHEMBL4765400 0.86 AURKA (0.52) AURKATP53LMNAMAPTMEN1
SCHEMBL4773028 0.78 RAB9A (0.60) TP53LMNAMAPTMEN1KMT2A
SCHEMBL22095109 0.77 LMNA (0.67) AURKATP53LMNAMAPTMEN1
SCHEMBL4768212 0.75 NPC1 (0.58) TP53MAPTMEN1KMT2AALDH1A1
SCHEMBL4771157 0.75 KMT2A (0.56) TP53LMNAMAPTMEN1KMT2A
Trifluoroacetic Acid SCHEMBL4770822 0.75 RAB9A (0.53) TP53LMNAMAPTMEN1KMT2A
SCHEMBL4767370 0.74 MEN1 (0.58) TP53LMNAMAPTMEN1KMT2A
SCHEMBL23928545 0.74 AURKA (0.76) AURKATP53LMNAMAPTMEN1

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-1713778-B1 BENZAZEPINE DERIVATIVES AS HISTAMINE H3 ANTAGONISTS GLAXO GROUP LTD (GB) 2008-01-16 EP claimed