SCHEMBL4771087

SCHEMBL4771087

O=C(Nc1ccc2c(c1)CCN(C1CCC1)CC2)c1cn(-c2ccccc2)nc1-c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AURKA O14965 11/20 0.58
TP53 P04637 1/20 0.58
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
MAPT P10636 4/20 0.56
KDM4E B2RXH2 3/20 0.56
ALDH1A1 P00352 2/20 0.56
LMNA P02545 2/20 0.56
KDM5B Q9UGL1 1/20 0.53
HPGD P15428 1/20 0.51
POLB P06746 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 SCHEMBL4765400 0.95 AURKA (0.52) AURKATP53MEN1KMT2ASMN1; SMN2
SCHEMBL4773081 0.90 AURKA (0.56) AURKATP53MEN1KMT2ASMN1; SMN2
Trifluoroacetic Acid SCHEMBL4771910 0.86 AURKA (0.52) AURKATP53MEN1KMT2ASMN1; SMN2
SCHEMBL4767370 0.81 MEN1 (0.58) TP53MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL4765359 0.80 NPC1 (0.44) TP53MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL4765481 0.80 HRH3 (0.44) TP53MEN1KMT2ASMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL4772031 0.79 NPC1 (0.43) TP53MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL4768623 0.78 RAB9A (0.58) TP53SMN1; SMN2MAPTALDH1A1
SCHEMBL4774462 0.77 RAB9A (0.59) MEN1KMT2ASMN1; SMN2HPGDPOLB
SCHEMBL4772484 0.77 NPC1 (0.55) TP53SMN1; SMN2MAPT

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