SCHEMBL856590

SCHEMBL856590

CCOC(=O)Cc1c(Cl)ccc2[nH]c(C)c(C(=O)OC)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
KDM4E B2RXH2 1/20 0.46
GAA P10253 2/20 0.43
NR4A2 P43354 1/20 0.42
TSHR P16473 2/20 0.41
HTT P42858 1/20 0.41
MAPT P10636 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
USP2 O75604 1/20 0.39
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM3 P20309 1/20 0.37
LCK P06239 1/20 0.37

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
SCHEMBL4231654 0.89 LMNA (0.42) LMNAKDM4EGAATSHRHTT
SCHEMBL27889099 0.73 LMNA (0.47) LMNAKDM4EGAAKLK6
SCHEMBL2876400 0.72 NR4A2 (0.59) LMNAKDM4EGAANR4A2TSHR
SCHEMBL7832340 0.70 TSHR (0.48) LMNAGAANR4A2TSHRMAPT
SCHEMBL31429079 0.69 SMN1; SMN2 (0.41) LMNAKDM4EGAAMAPTMEN1
SCHEMBL14865005 0.69 ALOX5 (0.56) LMNAKDM4EGAAHPGD
SCHEMBL8296306 0.69 PRSS1 (0.55) LMNAKDM4EGAAMAPTMEN1
SCHEMBL1429298 0.68 AKR1B1 (0.55) LMNAKDM4EHTTMAPTMEN1
SCHEMBL7669841 0.68 NLRP3 (0.48) LMNAKDM4EHTTMAPTSMN1; SMN2
SCHEMBL11331437 0.68 KDM4E (0.49) LMNAKDM4EGAAMAPTMEN1

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-2075249-B1 Indolylmaleimide derivatives NOVARTIS AG (CH) 2012-03-28 EP disclosed
EP-2075249-A2 Indolylmaleimide derivatives Novartis AG (CH) 2009-07-01 EP disclosed