SCHEMBL28276372

SCHEMBL28276372

Cc1cccc(C(=O)O)c1Nc1ccc(F)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.65
DHODH Q02127 1/20 0.52
ALDH1A1 P00352 2/20 0.50
HPGD P15428 2/20 0.50
HSD17B10 Q99714 1/20 0.50
POLB P06746 1/20 0.50
CYP3A4 P08684 3/20 0.49
CYP2C9 P11712 3/20 0.49
LMNA P02545 3/20 0.49
CYP1A2 P05177 2/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
ALOX12 P18054 1/20 0.49
CDC7 O00311 1/20 0.46
DAPK3 O43293 1/20 0.46
PAK4 O96013 1/20 0.46
PIM1 P11309 1/20 0.46
CDK2 P24941 1/20 0.46
FLT3 P36888 1/20 0.46
GSK3B P49841 1/20 0.46

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
SCHEMBL3364068 0.87 POLB (0.60) KDM4EDHODHALDH1A1HPGDHSD17B10
SCHEMBL28277826 0.84 ACLY (0.55) KDM4EDHODHALDH1A1HPGDHSD17B10
SCHEMBL28278349 0.82 ALDH1A1 (0.69) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL28276373 0.82 POLB (0.48) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL17344732 0.81 ALDH1A1 (0.60) KDM4EALDH1A1HPGDCYP3A4LMNA
SCHEMBL27352376 0.80 MEN1 (0.50) KDM4EDHODHALDH1A1HPGDPOLB
SCHEMBL16383670 0.79 KDM4E (1.00) KDM4EPOLBLMNACYP1A2KMT2A
SCHEMBL28277843 0.78 MEN1 (0.57) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL27493833 0.78 JAK2 (0.48) KDM4EALDH1A1GAAGSK3BKMT2A
SCHEMBL3636604 0.77 KMT2A (0.54) KDM4EDHODHALDH1A1MAPTCDC7

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
CN-109516963-A A method of preparing 1,2- dihydro-(4H) -3,1- benzoxazin-4-one compound 上海交通大学 2019-03-26 CN claimed
CN-109516963-A A method of preparing 1,2- dihydro-(4H) -3,1- benzoxazin-4-one compound 上海交通大学 2019-03-26 CN disclosed