SCHEMBL9380946

SCHEMBL9380946

Cc1nc(-c2ccc(-c3ccccc3)cc2)c2cc(C=O)ccc2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 1/20 0.53
KDM4E B2RXH2 7/20 0.49
ALDH1A1 P00352 5/20 0.49
MEN1 O00255 2/20 0.49
NPC1 O15118 2/20 0.49
POLB P06746 2/20 0.49
KMT2A Q03164 2/20 0.49
MAPT P10636 4/20 0.44
LMNA P02545 2/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.44
PTK2B Q14289 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
MAPK1 P28482 1/20 0.43
DHODH Q02127 5/20 0.42
KLK7 P49862 1/20 0.40
PRNP P04156 1/20 0.39
MAT2A P31153 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL23946317 0.83 KDM4E (0.53) KDM4EALDH1A1MAPTLMNAHPGD
SCHEMBL23946311 0.83 KDM4E (0.53) KDM4EALDH1A1MAPTLMNAHPGD
SCHEMBL23946306 0.83 KDM4E (0.53) KDM4EALDH1A1MAPTLMNAHPGD
SCHEMBL23946342 0.80 KDM4E (0.50) KDM4EALDH1A1MAPTLMNAHPGD
SCHEMBL9380942 0.77 IP6K1 (0.53) IP6K1KDM4EALDH1A1MEN1NPC1
SCHEMBL13440485 0.77 KDM4E (0.71) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL29986553 0.76 ADORA2A (0.57) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL16542819 0.76 ADORA2A (0.57) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL23946246 0.76 KDM4E (0.49) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL23946244 0.75 DHFR (0.50) KDM4EALDH1A1MEN1KMT2AMAPT

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-0621276-A1 Angiotensin II receptor blocking 2,3,6-substituted quinazolinones AMERICAN CYANAMID COMPANY (US) 1994-10-26 EP disclosed