SCHEMBL4807893

SCHEMBL4807893

CC1=NN(c2ccc(C)c(Cl)c2)CCC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.47
ABL1 P00519 2/20 0.46
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MAPT P10636 3/20 0.42
HPGD P15428 3/20 0.42
GFER P55789 1/20 0.42
MEN1 O00255 4/20 0.41
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.41
TP53 P04637 2/20 0.40
POLB P06746 3/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
RECQL P46063 1/20 0.38

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
SCHEMBL20405080 0.80 ABL1 (0.66) ABL1
SCHEMBL7719911 0.77 ABL1 (0.77) KMT2AABL1ALDH1A1SMN1; SMN2MAPT
SCHEMBL31415059 0.76 ADRB1 (0.44) KMT2AABL1ALDH1A1MAPTMEN1
SCHEMBL30008614 0.76 ADRB1 (0.44) KMT2AABL1ALDH1A1MAPTMEN1
SCHEMBL31065089 0.74 MAOB (0.51) KMT2AALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL14107040 0.72 KMT2A (0.69) KMT2AALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL8264511 0.70 MAPT (0.68) KMT2AALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL7816315 0.69 ALDH1A1 (0.56) KMT2AALDH1A1SMN1; SMN2HPGDMEN1
SCHEMBL10053481 0.68 PKM (0.48) KMT2AALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL30228205 0.68 MEN1 (0.69) KMT2AALDH1A1SMN1; SMN2MAPTHPGD

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-2008103866-A1 SYNTHESIS OF INDOLES MICROBIA, INC. (US) 2008-08-28 WO disclosed