SCHEMBL20599489

SCHEMBL20599489

O=C(Oc1ccc(Br)cn1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
KMT2A Q03164 5/20 0.47
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 2/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 2/20 0.42
F2 P00734 1/20 0.42
MEN1 O00255 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SLC6A3 Q01959 1/20 0.41
METAP2 P50579 1/20 0.41
METAP1 P53582 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL23486304 0.81 MAPT (0.56) MAPTKMT2AKDM4EALDH1A1HPGD
SCHEMBL31426894 0.81 KMT2A (0.53) MAPTKMT2AALDH1A1NPC1RAB9A
SCHEMBL486202 0.80 ALDH1A1 (0.52) MAPTKMT2AKDM4EALDH1A1NPC1
SCHEMBL27653513 0.80 ALDH1A1 (0.65) MAPTKMT2AKDM4EALDH1A1NPC1
SCHEMBL27633082 0.80 KMT2A (0.51) MAPTKMT2AKDM4EALDH1A1NPC1
SCHEMBL22557648 0.80 KMT2A (0.47) MAPTKMT2AKDM4EALDH1A1NPC1
SCHEMBL23488258 0.79 NNMT (0.58) MAPTKMT2ASMN1; SMN2HSD17B10SLC6A3
SCHEMBL28699641 0.78 NPC1 (0.55) MAPTKMT2AKDM4EALDH1A1NPC1
SCHEMBL31337903 0.77 MAPT (0.52) MAPTKMT2AKDM4EALDH1A1NPC1
SCHEMBL9098351 0.76 KMT2A (0.40) MAPTKMT2AKDM4EALDH1A1NPC1

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
EP-3658554-A1 DIHYDROPYRIMIDINE COMPOUNDS AND USES THEREOF IN MEDICINE North & South Brother Pharmacy Investment Company Limited (CN) 2020-06-03 EP disclosed
WO-2019001396-A1 DIHYDROPYRIMIDINE COMPOUNDS AND USES THEREOF IN MEDICINE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2019-01-03 WO disclosed