SCHEMBL8922778

SCHEMBL8922778

COC(=O)Cn1c(=O)[nH]c2ccc(I)cc2c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARG Q86W56 1/20 0.45
KDM4E B2RXH2 7/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 5/20 0.43
HPGD P15428 5/20 0.43
GAA P10253 4/20 0.43
GLA P06280 4/20 0.43
HSD17B10 Q99714 4/20 0.43
HTT P42858 2/20 0.43
KMT2A Q03164 2/20 0.43
PKM P14618 1/20 0.43
ELANE P08246 1/20 0.40
ERCC1 P07992 1/20 0.40
DNASE1 P24855 1/20 0.40
FEN1 P39748 1/20 0.40
ERCC4 Q92889 1/20 0.40
CYP1A2 P05177 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 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
SCHEMBL8924469 0.88 KDM4E (0.48) KDM4ESMN1; SMN2ALDH1A1HPGDGAA
SCHEMBL10048132 0.88 GABRA1 (0.47) PARGKDM4ESMN1; SMN2ALDH1A1HSD17B10
SCHEMBL10084475 0.86 HSD17B10 (0.47) PARGKDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL31160820 0.85 KMT2A (0.53) PARGKDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL31161048 0.85 CA9 (0.55) PARGALDH1A1KMT2APKMCA12
SCHEMBL31160949 0.81 PARG (0.43) PARGKDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL3312291 0.81 CYP1A2 (0.61) KDM4ESMN1; SMN2ALDH1A1HPGDGLA
SCHEMBL32680072 0.81 CYP1A2 (0.61) KDM4ESMN1; SMN2ALDH1A1HPGDGLA
SCHEMBL5712351 0.79 CYP1A2 (0.62) PARGKDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL6397114 0.79 MAPT (0.52) KDM4ESMN1; SMN2ALDH1A1HPGDGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5693637-A Bicycle derivatives, their preparation and use BASF AKTIENGESELLSCHAFT (DE) 1997-12-02 US disclosed