SCHEMBL28748643

SCHEMBL28748643

O=C(O)Cc1c2cc(Cl)ccc2nn1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
DRD2 P14416 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MPO P05164 1/20 0.41
AKR1B1 P15121 5/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
MAPT P10636 1/20 0.41
PLK4 O00444 1/20 0.40
MAPK8 P45983 1/20 0.40
MAPK9 P45984 1/20 0.40
AURKB Q96GD4 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
GRM5 P41594 1/20 0.40
TSPO P30536 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
ADORA2A P29274 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
SCHEMBL28748658 0.85 MPO (0.55) KDM4ESMN1; SMN2LMNAMPOAKR1B1
SCHEMBL28748655 0.85 ESR2 (0.48) KDM4EDRD2SMN1; SMN2LMNAL3MBTL1
SCHEMBL28748639 0.84 POLB (0.42) KDM4EAKR1B1MAPTAURKBCLK4
SCHEMBL28748679 0.84 GRM5 (0.40) AKR1B1MAPTCLK4GRM5P2RX7
SCHEMBL1921361 0.83 MPO (0.47) KDM4ESMN1; SMN2LMNAMPOMAPT
SCHEMBL28748682 0.81 MPO (0.45) KDM4ELMNAMPOAKR1B1MAPT
SCHEMBL29028803 0.78 ALDH1A1 (0.41) KDM4ESMN1; SMN2LMNAMPOMAPT
SCHEMBL28748691 0.78 PPP1CA (0.45) KDM4ESMN1; SMN2RXRARXRBRXRG
SCHEMBL28748740 0.76 ADORA2A (0.42) KDM4ESMN1; SMN2MPOAKR1B1MAPT
SCHEMBL28748649 0.74 PTGS1 (0.47) KDM4ELMNAMPOMAPTGRM5

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-113698349-B Aqueous phase photocatalysis preparation method of 2- (2-phenyl-2H-indazole-3-yl) acetate compound 河南师范大学 2023-08-01 CN disclosed
CN-113698349-A Water-phase photocatalytic preparation method of 2- (2-phenyl-2H-indazole-3-yl) acetate compounds 河南师范大学 2021-11-26 CN disclosed