SCHEMBL4816787

SCHEMBL4816787

CCOC(=O)c1c(-c2ccccc2OC)c[nH]c1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.53
HTT P42858 3/20 0.51
ALOX5 P09917 3/20 0.51
PTGES O14684 1/20 0.51
MAPT P10636 6/20 0.48
LMNA P02545 4/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
THRB P10828 2/20 0.48
TDP2 O95551 1/20 0.48
NSD2 O96028 1/20 0.48
XBP1 P17861 1/20 0.48
GALK1 P51570 1/20 0.48
BLM P54132 1/20 0.48
PAX8 Q06710 1/20 0.48
ATM Q13315 1/20 0.48
ESR2 Q92731 1/20 0.46
TP53 P04637 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL10748815 0.82 MAPT (0.55) SMN1; SMN2HTTALOX5MAPTLMNA
SCHEMBL9805088 0.80 HTT (0.73) SMN1; SMN2HTTMAPTLMNANPC1
SCHEMBL2659216 0.77 TSHR (0.49) SMN1; SMN2HTTMAPTLMNANPC1
SCHEMBL6536223 0.77 TSHR (0.62) HTTALOX5MAPTLMNANPC1
Pyrrole SCHEMBL9864136 0.76 HTT (0.66) SMN1; SMN2HTTMAPTLMNANPC1
SCHEMBL31619940 0.75 PRKCZ (0.56) SMN1; SMN2HTTMAPTLMNANPC1
SCHEMBL4817673 0.74 SMN1; SMN2 (0.56) SMN1; SMN2HTTALOX5PTGESMAPT
SCHEMBL10455857 0.74 CA12 (0.63) SMN1; SMN2MAPTLMNAMEN1KMT2A
SCHEMBL16851058 0.74 SMN1; SMN2 (0.63) SMN1; SMN2HTTALOX5PTGESMAPT
SCHEMBL688430 0.74 PRKCZ (0.63) MAPTLMNAMEN1KMT2AMAPK1

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
WO-2008145398-A1 4-ARYLPYRROLE SUBSTITUTED 2-INDOLINE DERIVATIVES ACTIVE AS PROTEIN KINASE INHIBITORS PFIZER ITALIA S.R.L. (IT) 2008-12-04 WO disclosed