SCHEMBL29417331

SCHEMBL29417331

COc1ccc(C(=O)Nc2c(Cl)cccc2C(=O)O)cc1

nearest known ligand 0.79

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.57
MEN1 O00255 2/20 0.57
PKM P14618 2/20 0.57
NPSR1 Q6W5P4 1/20 0.57
MAPT P10636 2/20 0.56
LMNA P02545 1/20 0.54
KCNK9 Q9NPC2 1/20 0.53
F10 P00742 2/20 0.53
ALDH1A1 P00352 3/20 0.52
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
TP53 P04637 2/20 0.51
ALOX15 P16050 1/20 0.51
KDM4E B2RXH2 1/20 0.51
PTPN11 Q06124 1/20 0.51

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
SCHEMBL23040849 1.00 KMT2A (0.57) KMT2AMEN1PKMNPSR1MAPT
SCHEMBL23040986 0.89 KMT2A (0.54) KMT2AMEN1PKMMAPTLMNA
SCHEMBL29760388 0.89 KMT2A (0.54) KMT2AMEN1PKMMAPTLMNA
SCHEMBL23040969 0.85 TLR7 (0.49) KMT2AMEN1PKMMAPTLMNA
SCHEMBL29417322 0.85 TLR7 (0.49) KMT2AMEN1PKMMAPTLMNA
SCHEMBL10743840 0.84 KMT2A (0.64) KMT2AMEN1PKMMAPTLMNA
SCHEMBL3783197 0.83 F10 (0.68) KMT2AMEN1PKMNPSR1MAPT
SCHEMBL11538185 0.81 ALDH1A1 (0.56) KMT2AMEN1NPSR1MAPTLMNA
SCHEMBL11240349 0.81 MEN1 (0.57) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL8142651 0.78 KMT2A (0.69) KMT2AMEN1NPSR1MAPTALDH1A1

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-114144401-A Novel quinazoline compounds for the treatment and prevention of hepatitis b virus diseases 豪夫迈·罗氏有限公司 2022-03-04 CN disclosed