SCHEMBL28619006

SCHEMBL28619006

Nc1ccc(Cl)c(-c2cccc(C(=O)O)c2)c1OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 11/20 0.52
MEN1 O00255 1/20 0.51
NPC1 O15118 1/20 0.51
MITF O75030 1/20 0.51
TP53 P04637 1/20 0.51
HPGD P15428 1/20 0.51
XBP1 P17861 1/20 0.51
NFKB1 P19838 1/20 0.51
RAB9A P51151 1/20 0.51
NFKB2 Q00653 1/20 0.51
KMT2A Q03164 1/20 0.51
RELA Q04206 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
PTGER1 P34995 5/20 0.51
CYP2C9 P11712 2/20 0.51
NR4A2 P43354 3/20 0.50

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
SCHEMBL30008028 0.81 PTGER1 (0.65) MRGPRX4MEN1KMT2APTGER1CYP2C9
SCHEMBL22442364 0.73 PTGER1 (0.65) MRGPRX4MEN1NPC1MITFTP53
SCHEMBL29784206 0.73 PTGER1 (0.65) MRGPRX4MEN1NPC1MITFTP53
SCHEMBL22480969 0.73 NPC1 (0.74) MRGPRX4MEN1NPC1MITFTP53
SCHEMBL1457712 0.72 MEN1 (0.63) MRGPRX4MEN1NPC1MITFTP53
SCHEMBL28629532 0.72 PTGER1 (0.59) MRGPRX4MEN1NPC1RAB9AKMT2A
SCHEMBL4889378 0.71 PTGER1 (0.71) MRGPRX4MEN1NPC1MITFTP53
SCHEMBL7477872 0.71 MRGPRX4 (0.74) MRGPRX4TP53NFKB1RAB9ANFKB2
SCHEMBL29179211 0.70 MAP4K4 (0.58) MRGPRX4MEN1NPC1MITFTP53
SCHEMBL1934576 0.70 HPGD (0.70) MRGPRX4MEN1NPC1MITFTP53

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-109704982-B Preparation method of eltrombopag intermediate 2-hydroxy-3- (m-carboxyphenyl) aniline 上海天慈国际药业有限公司 2021-09-07 CN disclosed