SCHEMBL8915221

SCHEMBL8915221

O=C(O)c1c(-c2ccccc2)ccc(F)c1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.44
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
PTGS1 P23219 3/20 0.42
PTGS2 P35354 2/20 0.42
AKR1C2 P52895 2/20 0.42
AKR1C1 Q04828 2/20 0.42
FABP2 P12104 1/20 0.42
TSHR P16473 1/20 0.42
AKR1C4 P17516 1/20 0.42
ADRA2B P18089 1/20 0.42
CHRM3 P20309 1/20 0.42
HTR2C P28335 1/20 0.42
DRD3 P35462 1/20 0.42
AKR1C3 P42330 1/20 0.42
SLC22A6 Q4U2R8 1/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL20773094 0.85 CDK1 (0.44) FOLH1KMT2AMEN1PTGS1PTGS2
SCHEMBL3717925 0.83 AKR1C3 (0.53) FOLH1AKR1C2AKR1C3
SCHEMBL28895383 0.81 FOLH1 (0.47) FOLH1KMT2AAKR1C3LMNACYP1A2
SCHEMBL9954274 0.81 MEN1 (0.43) FOLH1KMT2AMEN1PTGS1PTGS2
SCHEMBL8913632 0.81 HTT (0.51) KMT2AMEN1PTGS1PTGS2TSHR
SCHEMBL23521242 0.81 FOLH1 (0.53) FOLH1KMT2AMEN1AKR1C2AKR1C1
SCHEMBL3431160 0.80 FOLH1 (0.47) FOLH1KMT2AMEN1PTGS1PTGS2
SCHEMBL1927711 0.78 FOLH1 (0.53) FOLH1KMT2AMEN1LMNAMAPT
SCHEMBL29201438 0.78 KAT6A (0.53) KMT2AMEN1PTGS1PTGS2AKR1C2
SCHEMBL28589720 0.78 PTGS1 (0.37) KMT2AMEN1PTGS1PTGS2AKR1C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109111451-B Dihydropyrimidine compound and application thereof in medicine 广东东阳光药业有限公司 2020-08-11 CN disclosed
CN-110891939-A Benzazepine derivatives 大塚制药株式会社 2020-03-17 CN disclosed
US-5651919-A Benzyl ether derivative and composition containing the same CITIZEN WATCH CO., LTD. (JP) 1997-07-29 US disclosed