SCHEMBL29488265

SCHEMBL29488265

COc1ccc(C(=O)c2nc3ccc(NC(=O)CCl)cc3c(=O)[nH]2)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
POLB P06746 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
BRD4 O60885 1/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HTT P42858 1/20 0.43
RXFP1 Q9HBX9 2/20 0.43
LMNA P02545 2/20 0.43
KDM4E B2RXH2 2/20 0.42
TSHR P16473 1/20 0.42
FPR2 P25090 1/20 0.42
ENPP1 P22413 1/20 0.42
ALDH1A1 P00352 1/20 0.42
RECQL P46063 1/20 0.42
ESR1 P03372 1/20 0.42
RAB9A P51151 1/20 0.42
PKM P14618 1/20 0.41
ITGB3 P05106 1/20 0.41
ITGA2B P08514 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
SCHEMBL28308709 1.00 MAPT (0.46) MAPTPOLBSMN1; SMN2BRD4MEN1
SCHEMBL29488264 1.00 MAPT (0.46) MAPTPOLBSMN1; SMN2BRD4MEN1
SCHEMBL28308718 0.85 EGFR (0.53) MAPTSMN1; SMN2BRD4KMT2AHTT
SCHEMBL28738664 0.84 BRD4 (0.46) MAPTPOLBSMN1; SMN2BRD4HTT
SCHEMBL28308704 0.80 ATIC (0.44) MAPTSMN1; SMN2BRD4MEN1KMT2A
SCHEMBL28738663 0.80 ITGB3 (0.44) MAPTPOLBSMN1; SMN2BRD4RXFP1
SCHEMBL29488258 0.79 BRD4 (0.52) MAPTPOLBSMN1; SMN2BRD4MEN1
SCHEMBL28738687 0.79 BRD4 (0.52) MAPTPOLBSMN1; SMN2BRD4MEN1
SCHEMBL29488268 0.78 MAPT (0.45) MAPTHTTRXFP1LMNAALDH1A1
SCHEMBL29488269 0.78 MAPT (0.45) MAPTHTTRXFP1LMNAALDH1A1

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-109897008-B 2-benzoyl-6-amino-4 (3H) -quinazolinone derivative and synthesis method and application thereof 中南大学 2022-05-03 CN disclosed