SCHEMBL7224196

SCHEMBL7224196

C=CCn1c(Nc2cccc(C(=O)O)c2)nc(=O)c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDH1 P12830 1/20 0.52
CTNNB1 P35222 1/20 0.52
TCF7L2 Q9NQB0 1/20 0.52
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
PDE8A O60658 1/20 0.46
PDE4A P27815 1/20 0.46
RHOA P61586 1/20 0.45
PTGER4 P35408 2/20 0.42
CDC25B P30305 4/20 0.42
IRAK4 Q9NWZ3 1/20 0.42
AKR1C4 P17516 1/20 0.42
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
AKR1C1 Q04828 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL7218561 0.88 MEN1 (0.47) CDH1CTNNB1TCF7L2MEN1KMT2A
SCHEMBL7217250 0.85 L3MBTL1 (0.49) MEN1KMT2ANPC1RAB9AL3MBTL1
SCHEMBL7222312 0.83 MEN1 (0.41) CDH1CTNNB1TCF7L2MEN1KMT2A
SCHEMBL7218618 0.83 MEN1 (0.42) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL7217219 0.81 L3MBTL1 (0.54) MEN1KMT2AL3MBTL1PDE8APDE4A
SCHEMBL7224034 0.75 CYP1A2 (0.47) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL11840495 0.75 ALDH1A1 (0.46) MEN1KMT2ANPC1RAB9AL3MBTL1
SCHEMBL7224206 0.73 DRD2 (0.50) PTGER4KDM4ERXFP1
SCHEMBL17382572 0.70 ALDH1A1 (0.63) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL2359465 0.69 CYP1A2 (0.68) MEN1KMT2ANPC1RAB9AKDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6525061-B1 Combinatorial libraries for drug discovery;4-((6-bromo-4-oxo-1,4-dihydroquinazolin-2-yl)amino)b enzoic acid, WYETH 2003-02-25 US claimed
US-6525061-B1 Combinatorial libraries for drug discovery;4-((6-bromo-4-oxo-1,4-dihydroquinazolin-2-yl)amino)b enzoic acid, WYETH 2003-02-25 US disclosed