SCHEMBL4745451

SCHEMBL4745451

Cc1cc(Cl)c2cc(N3CCN(C)CC3)ccc2n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.56
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
LMNA P02545 1/20 0.54
ADRA2A P08913 1/20 0.52
ADRA2B P18089 1/20 0.52
ADRA2C P18825 1/20 0.52
HTR6 P50406 4/20 0.52
MEN1 O00255 1/20 0.50
GLA P06280 1/20 0.50
GAA P10253 1/20 0.50
KMT2A Q03164 1/20 0.50
DNMT1 P26358 1/20 0.50
RAD52 P43351 1/20 0.50
IDO1 P14902 2/20 0.48
TDO2 P48775 2/20 0.48
IDO2 Q6ZQW0 2/20 0.48
HTR3A P46098 2/20 0.46
HRH4 Q9H3N8 2/20 0.46

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
SCHEMBL23999557 0.84 KMT2A (0.54) KDM4ENPC1RAB9ASMN1; SMN2LMNA
SCHEMBL4745320 0.83 KDM4E (0.56) KDM4ENPC1RAB9ASMN1; SMN2ADRA2A
SCHEMBL27170983 0.80 KDM4E (0.56) KDM4ENPC1RAB9ASMN1; SMN2ADRA2A
SCHEMBL23999932 0.77 NPSR1 (0.53) KDM4ERAB9ALMNAMEN1GAA
SCHEMBL23999899 0.76 LMNA (0.46) KDM4ENPC1RAB9ASMN1; SMN2LMNA
SCHEMBL25826546 0.76 LMNA (0.46) KDM4ENPC1RAB9ASMN1; SMN2LMNA
SCHEMBL4808109 0.75 KDM4E (0.66) KDM4ENPC1RAB9ASMN1; SMN2HTR6
SCHEMBL25746316 0.74 KDM4E (0.56) KDM4ENPC1RAB9ASMN1; SMN2ADRA2A
SCHEMBL6890186 0.73 IDO1 (0.59) KDM4ENPC1RAB9ASMN1; SMN2HTR6
SCHEMBL3642734 0.73 LMNA (0.49) KDM4ENPC1RAB9ASMN1; SMN2LMNA

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-2008117079-A1 ANTIMICROBIAL COMPOUNDS BASED UPON 4-AMINOQUINOLINE HELPERBY THERAPEUTICS LIMITED (GB) 2008-10-02 WO disclosed