SCHEMBL1225552

SCHEMBL1225552

CN(C)Cc1c[nH]c(C(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.50
ALDH1A1 P00352 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
RAB9A P51151 3/20 0.42
GAA P10253 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.39
NOTUM Q6P988 2/20 0.39
TSHR P16473 2/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
PKM P14618 2/20 0.37
NPC1 O15118 1/20 0.37
HSP90AA1 P07900 1/20 0.37
TTK P33981 1/20 0.36
AURKB Q96GD4 1/20 0.36
INCENP Q9NQS7 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
GSR P00390 1/20 0.34
CYP2C9 P11712 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
SCHEMBL13614197 0.79 DAO (0.54) DAOALDH1A1TDP1RAB9AGAA
SCHEMBL261339 0.78 GABRA1 (0.45) ALDH1A1RAB9AGAASMN1; SMN2TSHR
SCHEMBL1149578 0.77 DAO (0.61) DAOALDH1A1TDP1RAB9AGAA
SCHEMBL6899153 0.76 DAO (0.60) DAOTDP1RAB9AGAASMN1; SMN2
SCHEMBL1149740 0.75 LTB4R2 (0.52) DAOALDH1A1RAB9AGAASMN1; SMN2
SCHEMBL875351 0.75 DAO (0.54) DAOALDH1A1TDP1RAB9AGAA
SCHEMBL2919651 0.75 DAO (0.54) DAOALDH1A1TDP1RAB9AGAA
Hydrochloric Acid SCHEMBL6941257 0.73 DAO (0.53) DAOALDH1A1TDP1RAB9AGAA
SCHEMBL5710422 0.73 DAO (0.53) DAOALDH1A1TDP1RAB9AGAA
SCHEMBL1869219 0.72 ALDH1A1 (0.60) ALDH1A1TDP1GAASMN1; SMN2TSHR

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
EP-2281822-B1 New dihydroindolone derivatives, method of preparing same and pharmaceutical compositions containing them SERVIER LAB (FR) 2013-01-16 EP disclosed
EP-2281822-A1 New dihydroindolone derivatives, method of preparing same and pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2011-02-09 EP disclosed