SCHEMBL28110562

SCHEMBL28110562

O=Cc1cc2c(cc1Br)OCO2.O=Cc1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 3/20 0.50
HSD17B10 Q99714 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
KMT2A Q03164 4/20 0.44
MEN1 O00255 2/20 0.44
IGF1R P08069 1/20 0.44
MAPT P10636 3/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HPGD P15428 3/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
PTGS2 P35354 1/20 0.40
PKM P14618 1/20 0.39
HTT P42858 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL29624374 0.84 HPGD (0.55) ALDH1A1KDM4EHSD17B10TDP1KMT2A
SCHEMBL583659 0.84 HPGD (0.55) ALDH1A1KDM4EHSD17B10TDP1KMT2A
SCHEMBL2799632 0.73 PRKDC (0.42) ALDH1A1KDM4EKMT2AMEN1IGF1R
SCHEMBL30286495 0.73 PRKDC (0.42) ALDH1A1KDM4EKMT2AMEN1IGF1R
SCHEMBL9860604 0.72 LMNA (0.54) ALDH1A1KDM4ETDP1KMT2AMEN1
SCHEMBL14070022 0.71 LMNA (0.64) ALDH1A1HSD17B10TDP1KMT2AMEN1
SCHEMBL15152237 0.71 SMN1; SMN2 (0.51) ALDH1A1KMT2AMEN1IGF1RMAPT
SCHEMBL15152345 0.71 PRKDC (0.40) ALDH1A1KDM4EHSD17B10TDP1KMT2A
SCHEMBL29447932 0.70 HPGD (0.55) ALDH1A1HSD17B10TDP1KMT2AMEN1
SCHEMBL1464773 0.70 HPGD (0.55) ALDH1A1HSD17B10TDP1KMT2AMEN1

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
CN-104144930-B New indolizine derivatives, method for preparing same and pharmaceutical compositions containing same 瑟维尔实验室 2017-02-22 CN disclosed