SCHEMBL28808564

SCHEMBL28808564

Cc1cc(C)cc(NN2CCN(c3ccccn3)CC2)c1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.60
▸ ALDH1A1 P00352 6/20 0.51
▸ MAPT P10636 3/20 0.51
▸ HPGD P15428 2/20 0.51
▸ DRD2 P14416 2/20 0.51
▸ DRD4 P21917 2/20 0.51
▸ DRD3 P35462 2/20 0.51
▸ PHGDH O43175 1/20 0.49
▸ POLB P06746 2/20 0.48
▸ TSHR P16473 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ RAB9A P51151 1/20 0.47

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
SCHEMBL8981923 0.77 KDM4E (0.60) KDM4EALDH1A1MAPTPOLBHSD17B10
SCHEMBL29857922 0.76 PLD1 (0.73) KDM4EALDH1A1MAPTHPGDPOLB
SCHEMBL15800694 0.76 PLD1 (0.73) KDM4EALDH1A1MAPTHPGDPOLB
SCHEMBL21353591 0.76 — —
SCHEMBL9639408 0.73 KDM4E (0.59) KDM4EALDH1A1MAPTPOLBHSD17B10
SCHEMBL1108651 0.72 KDM4E (0.58) KDM4EALDH1A1MAPTHPGDPOLB
SCHEMBL16994742 0.72 KDM4E (0.62) KDM4EALDH1A1MAPTHPGDPOLB
SCHEMBL7488520 0.72 ALDH1A1 (0.59) KDM4EALDH1A1MAPTHPGDPOLB
SCHEMBL159733 0.71 PLD1 (0.61) KDM4EALDH1A1MAPTPOLBHSD17B10
SCHEMBL29904791 0.71 PLD1 (0.61) KDM4EALDH1A1MAPTPOLBHSD17B10

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
CN-103694163-A Compounds as Potassium Channel Modulators SHANGHAI SIMCERE DRUG RES CO LTD 2014-04-02 — — CN disclosed
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