SCHEMBL6656620

SCHEMBL6656620

O=C(NCc1ccccc1Cl)c1cc2ccccc2[nH]1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.59
KDM4E B2RXH2 3/20 0.58
ALDH1A1 P00352 2/20 0.58
GAA P10253 1/20 0.58
MAPK1 P28482 1/20 0.58
DRD2 P14416 1/20 0.56
DRD3 P35462 1/20 0.56
HSD17B10 Q99714 1/20 0.56
AKR1C3 P42330 1/20 0.55
HTR2C P28335 1/20 0.55
TP53 P04637 1/20 0.54
HDAC3 O15379 1/20 0.54
HDAC4 P56524 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC10 Q969S8 1/20 0.54
HDAC11 Q96DB2 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54

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
SCHEMBL6656344 0.88 TSHR (0.55) KDM4EALDH1A1GAAMAPK1DRD2
SCHEMBL18669175 0.88 KDM4E (0.60) KDM4EALDH1A1GAAMAPK1DRD2
SCHEMBL18750640 0.86 DRD2 (0.54) KDM4EALDH1A1GAAMAPK1DRD2
SCHEMBL17149768 0.86 KDM4E (0.52) KDM4EALDH1A1GAAMAPK1DRD2
SCHEMBL2760007 0.86 POLB (0.53) POLBKDM4EALDH1A1DRD2DRD3
SCHEMBL6659424 0.84 KDM4E (0.60) KDM4EALDH1A1GAAMAPK1DRD2
SCHEMBL22809795 0.84 KDM4E (0.58) KDM4EALDH1A1GAAMAPK1DRD2
SCHEMBL34468977 0.83 NPC1 (0.60) POLBKDM4EALDH1A1TP53
SCHEMBL6300914 0.82 HDAC2 (0.57) KDM4EALDH1A1GAAMAPK1DRD2
SCHEMBL26096928 0.81 NSD2 (0.57) POLBKDM4EALDH1A1MAPK1HSD17B10

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
EP-1440966-A1 Indole derivatives useful for the treatment of diseases Pfizer Limited (GB) 2004-07-28 EP disclosed