SCHEMBL4103146

SCHEMBL4103146

Nc1ccc(CN2CCCCC2)cc1NC1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.50
KDM4E B2RXH2 3/20 0.49
GAA P10253 3/20 0.49
MAPT P10636 1/20 0.49
ALDH1A1 P00352 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.44
POLB P06746 1/20 0.44
HTT P42858 1/20 0.44
HRH4 Q9H3N8 1/20 0.42
PRMT6 Q96LA8 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL29124557 0.89 HRH3 (0.50) HRH3KDM4EGAAMAPTALDH1A1
SCHEMBL572453 0.81 ALK (0.48) SMN1; SMN2CYP2C19
SCHEMBL15192190 0.81 ALK (0.48) SMN1; SMN2CYP2C19
SCHEMBL14311677 0.80 ALDH1A1 (0.53) HRH3KDM4EALDH1A1SMN1; SMN2POLB
SCHEMBL2033579 0.76 MAPK1 (0.60) KDM4EMAPTALDH1A1SMN1; SMN2POLB
SCHEMBL20985378 0.75 HRH3 (0.46) HRH3ALDH1A1CYP2D6
SCHEMBL20985376 0.75 HRH3 (0.46) HRH3ALDH1A1CYP2D6
SCHEMBL10240068 0.75 ALDH1A1 (0.63) HRH3KDM4EALDH1A1SMN1; SMN2POLB
SCHEMBL6734904 0.74 DDB1 (0.59) HRH3ALDH1A1SMN1; SMN2PRMT6TDP1
SCHEMBL20837294 0.74 MAPT (0.62) KDM4EGAAMAPTALDH1A1SMN1; SMN2

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-2061786-A2 INDAZOLE DERIVATIVES AS MODULATORS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE Biogen Idec MA Inc. (US) 2009-05-27 EP disclosed
WO-2008030584-A2 INDAZOLE DERIVATIVES AS MODULATORS OF INTERLEUKIN- 1 RECEPTOR-ASSOCIATED KINASE BIOGEN IDEC MA INC. (US) 2008-03-13 WO disclosed