SCHEMBL29110299

SCHEMBL29110299

O=c1cc(O)c2ccc(C(F)(F)F)nc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HPGD P15428 1/20 0.41
KDM4E B2RXH2 2/20 0.40
AR P10275 2/20 0.40
KDM5A P29375 1/20 0.40
FABP4 P15090 5/20 0.39
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SHMT2 P34897 2/20 0.38
GAA P10253 1/20 0.36
POLB P06746 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL30611217 1.00 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AHPGDKDM4E
SCHEMBL13622759 0.76 KDM4E (0.57) KMT2AKDM4ESHMT2
SCHEMBL11591796 0.76 ADORA1 (0.53) ALDH1A1MEN1KMT2AKDM4EKDM5A
SCHEMBL11721081 0.73 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AHPGDKDM4E
SCHEMBL30039796 0.73 HPGD (0.40) ALDH1A1HPGDARFABP4MAPT
SCHEMBL30549011 0.73 HPGD (0.40) ALDH1A1HPGDARFABP4MAPT
SCHEMBL4351926 0.73 TRPV1 (0.44) ALDH1A1HPGDPOLB
SCHEMBL30611322 0.73 GRIN2D (0.67) MEN1KMT2AKDM4EGAAPOLB
SCHEMBL29110302 0.73 GRIN2D (0.67) MEN1KMT2AKDM4EGAAPOLB
SCHEMBL30499843 0.72 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AHPGDKDM4E

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
CN-116903613-A 2-oxo quinazoline five-membered heterocyclic derivative, preparation method and application thereof 深圳微芯生物科技股份有限公司 2023-10-20 CN disclosed