SCHEMBL7645345

SCHEMBL7645345

COC(=O)C1NN(c2cccc(Cl)c2)C(=O)C(Br)=C1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.41
HPGD P15428 2/20 0.41
MAPT P10636 2/20 0.41
RECQL P46063 1/20 0.41
ALDH1A1 P00352 5/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NOD1 Q9Y239 1/20 0.39
POLB P06746 2/20 0.38
MT-CO1 P00395 1/20 0.36
MT-CO2 P00403 1/20 0.36
ALOX5 P09917 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HTT P42858 1/20 0.34
CASP3 P42574 1/20 0.34
PKM P14618 1/20 0.34
NOTUM Q6P988 1/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL7644715 0.79 GAA (0.35) GAAHPGDMAPTRECQLALDH1A1
SCHEMBL6733211 0.70 LMNA (0.38) GAAALDH1A1MEN1KMT2APOLB
SCHEMBL13722871 0.62 NOTUM (0.62) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL6272177 0.62 KMT2A (0.64) GAAHPGDMAPTALDH1A1MEN1
SCHEMBL9652604 0.61 GAA (0.39) GAAHPGDMAPTRECQLALDH1A1
SCHEMBL4925870 0.60 ADRB1 (0.50) ALDH1A1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL14691021 0.60 NOTUM (0.71) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL6727748 0.59 MAPT (0.43) GAAMAPTALDH1A1MEN1KMT2A
Acetic Acid Methyl Ester SCHEMBL837627 0.58 MEN1 (0.50) GAAHPGDMAPTALDH1A1MEN1
SCHEMBL10360359 0.58 GAA (0.47) GAAHPGDMAPTRECQLALDH1A1

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
US-6469003-B1 COMPOUNDS HAVING CELL ADHESION INHIBITING ACTIVITY NIHON NOHYAKU CO., LTD. (JP) 2002-10-22 US disclosed
EP-1130015-A1 PYRIDAZINONE DERIVATIVES Nihon Nohyaku Co., Ltd. (JP) 2001-09-05 EP disclosed