SCHEMBL2917568

SCHEMBL2917568

Nc1cc(Cl)ccc1C1=NOC(=O)C1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.57
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 3/20 0.37
TSHR P16473 2/20 0.37
CYP3A4 P08684 2/20 0.37
ALOX15 P16050 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
TP53 P04637 1/20 0.36
S100A4 P26447 1/20 0.35
METAP1 P53582 1/20 0.35
HPGD P15428 1/20 0.34
ALOX12 P18054 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HTT P42858 2/20 0.34
ABL1 P00519 1/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 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
SCHEMBL40537 0.84 NOTUM (0.60) NOTUMKMT2AALDH1A1TSHRCYP3A4
SCHEMBL9782150 0.73 NOTUM (1.00) NOTUMKMT2AALDH1A1TSHRSMN1; SMN2
SCHEMBL30839712 0.69 ALDH1A1 (0.65) KMT2AALDH1A1TSHRCYP3A4ALOX15
SCHEMBL27185985 0.69 ALDH1A1 (0.65) KMT2AALDH1A1TSHRCYP3A4ALOX15
SCHEMBL30839752 0.69 ALDH1A1 (0.65) KMT2AALDH1A1TSHRCYP3A4ALOX15
SCHEMBL19002042 0.65 CYP3A4 (0.40) KMT2AALDH1A1TSHRCYP3A4ALOX15
SCHEMBL14906969 0.63 ALDH1A1 (0.56) KMT2AALDH1A1TSHRCYP3A4ALOX15
SCHEMBL3328198 0.62 DAO (0.39) NOTUMKMT2AALDH1A1TSHRCYP3A4
SCHEMBL2889340 0.62 GRIK1 (0.47) NOTUMALDH1A1TSHRCYP3A4ALOX15
SCHEMBL11214035 0.62 TSHR (0.58) KMT2AALDH1A1TSHRCYP3A4ALOX15

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-2225214-A1 NOVEL PHENYL-ACETAMIDE AND PHENYL-PROPIONAMIDE DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATORS NeuroSearch AS (DK) 2010-09-08 EP disclosed
WO-2009068557-A1 NOVEL PHENYL-ACETAMIDE AND PHENYL-PROPIONAMIDE DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2009-06-04 WO disclosed