SCHEMBL9380942

SCHEMBL9380942

Cc1nc(-c2ccc(-c3ccccc3)cc2)nc2ccc(C=O)cc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 2/20 0.53
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 4/20 0.49
NPC1 O15118 3/20 0.49
POLB P06746 3/20 0.49
PDE10A Q9Y233 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
RAB9A P51151 2/20 0.44
HTT P42858 1/20 0.44
MAPT P10636 3/20 0.44
HPGD P15428 1/20 0.44
PTK2B Q14289 1/20 0.44
TRIM24 O15164 1/20 0.40
TRIM33 Q9UPN9 1/20 0.40
LMNA P02545 1/20 0.40
RXRA P19793 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4D Q08499 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
SCHEMBL9380946 0.77 IP6K1 (0.53) IP6K1MEN1KMT2AALDH1A1KDM4E
SCHEMBL28190057 0.77 LMNA (0.53) MEN1KMT2AALDH1A1KDM4ENPC1
SCHEMBL19169418 0.76 PDE10A (0.60) MEN1KMT2AALDH1A1KDM4ENPC1
SCHEMBL11549916 0.74 ALDH1A1 (0.57) IP6K1MEN1KMT2AALDH1A1KDM4E
SCHEMBL28484119 0.73 ALDH1A1 (0.47) IP6K1MEN1KMT2AALDH1A1KDM4E
SCHEMBL422358 0.72 PDE10A (0.61) MEN1KMT2AALDH1A1NPC1PDE10A
SCHEMBL20269925 0.72 ALDH1A1 (0.52) IP6K1MEN1KMT2AALDH1A1KDM4E
SCHEMBL21390765 0.72 ALDH1A1 (0.52) IP6K1MEN1KMT2AALDH1A1KDM4E
SCHEMBL26858214 0.72 KMT2A (0.56) MEN1KMT2AALDH1A1KDM4ENPC1
SCHEMBL21390628 0.71 IP6K1 (0.44) IP6K1MEN1KMT2AALDH1A1KDM4E

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