SCHEMBL28748639

SCHEMBL28748639

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
AKR1B1 P15121 7/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
AURKA O14965 3/20 0.40
AURKB Q96GD4 2/20 0.40
KDR P35968 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRA6 Q16445 1/20 0.40
CA9 Q16790 2/20 0.39
RXFP1 Q9HBX9 2/20 0.39

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
SCHEMBL28748708 0.85 RAB9A (0.46) POLBAKR1B1KMT2AMEN1ALDH1A1
SCHEMBL28748690 0.84 MEN1 (0.43) POLBAKR1B1KMT2AMEN1KDM4E
SCHEMBL28748679 0.84 GRM5 (0.40) POLBAKR1B1KMT2AMEN1ALDH1A1
SCHEMBL28748643 0.84 KDM4E (0.46) AKR1B1KDM4EMAPTAURKBGABRA1
SCHEMBL1921361 0.83 MPO (0.47) POLBKDM4EALDH1A1MAPTAURKA
SCHEMBL28748682 0.81 MPO (0.45) POLBAKR1B1KMT2AMEN1KDM4E
SCHEMBL28748658 0.75 MPO (0.55) AKR1B1KDM4EALDH1A1
SCHEMBL28941411 0.74 POLB (0.46) POLBALDH1A1TDP1
SCHEMBL28748649 0.74 PTGS1 (0.47) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL28748655 0.74 ESR2 (0.48) AKR1B1KDM4ECYP1A2

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