SCHEMBL8623931

SCHEMBL8623931

O=c1ncc2c(F)cccc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.49
DDO Q99489 1/20 0.49
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 3/20 0.39
HPGD P15428 3/20 0.39
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PARP1 P09874 1/20 0.39
NPC1 O15118 1/20 0.38
HCRTR1 O43613 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
FEN1 P39748 1/20 0.37
LMNA P02545 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
ATM Q13315 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL30095711 1.00 DAO (0.49) DAODDOKMT2AKDM4EHPGD
SCHEMBL29162197 0.78 DAO (0.39) DAODDOKMT2AKDM4EHPGD
SCHEMBL15875649 0.78 DAO (0.49) DAODDOKDM4EHPGDALDH1A1
SCHEMBL15875625 0.78 TDP1 (0.46) KDM4EHPGDALDH1A1TSHRHSD17B10
SCHEMBL8619858 0.78 NOS1 (0.52) DAOKMT2AKDM4EHPGDALDH1A1
SCHEMBL25415892 0.78 IMPDH2 (0.43) DAODDOKDM4EHPGDALDH1A1
SCHEMBL30878033 0.78 NOS1 (0.52) DAOKMT2AKDM4EHPGDALDH1A1
SCHEMBL3171494 0.74 KDM4E (0.33) DAODDOKMT2AKDM4EHPGD
SCHEMBL16108649 0.74 ABCG2 (0.50) KMT2AKDM4EHPGDALDH1A1NPC1
SCHEMBL30306363 0.74 PBRM1 (0.50) KMT2AKDM4EHPGDALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117480155-A Diacylglycerol kinase modulating compounds 吉利德科学公司 2024-01-30 CN disclosed
CN-113754595-A Preparation method and application of 6-fluoroquinazoline derivatives containing disulfide structures 贵州大学 2021-12-07 CN disclosed
US-5849861-A Polyquinazolines and methods for their preparation HITACHI CHEMICAL CO., LTD. (JP) 1998-12-15 US disclosed
US-5686560-A TREATING A MONOMER WITH A BASE IN A DIPOLAR SOLVENT HITACHI CHEMICAL CO., LTD. (JP) 1997-11-11 US disclosed