SCHEMBL28070422

SCHEMBL28070422

CCC1CCCCN1C(=O)N1CCCCC1CC

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.53
MAPT P10636 1/20 0.53
ALDH1A1 P00352 5/20 0.51
KDM4E B2RXH2 1/20 0.51
DAGLA Q9Y4D2 3/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
MEN1 O00255 1/20 0.50
ABHD11 Q8NFV4 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
HPGD P15428 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.46
LMNA P02545 1/20 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
SCHEMBL12606498 0.86 KMT2A (0.51) KMT2AMAPTALDH1A1KDM4ENPC1
SCHEMBL1198628 0.86 NPC1 (0.52) KMT2AMAPTALDH1A1KDM4EDAGLA
SCHEMBL20910819 0.84 ALDH1A1 (0.55) KMT2AMAPTALDH1A1KDM4ENPC1
SCHEMBL14413594 0.84 KMT2A (0.50) KMT2AMAPTALDH1A1KDM4EDAGLA
SCHEMBL19917089 0.84 KMT2A (0.50) KMT2AMAPTALDH1A1KDM4ENPC1
SCHEMBL7762330 0.82 L3MBTL1 (0.53) KMT2AMAPTALDH1A1KDM4EDAGLA
SCHEMBL988939 0.82 KMT2A (0.53) KMT2AMAPTALDH1A1KDM4EDAGLA
SCHEMBL7194304 0.82 KMT2A (0.53) KMT2AMAPTALDH1A1KDM4EDAGLA
SCHEMBL10667417 0.82 ALDH1A1 (0.54) KMT2AMAPTALDH1A1KDM4ENPC1
SCHEMBL13198897 0.81 KMT2A (0.51) KMT2AMAPTALDH1A1KDM4ENPC1

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-105753768-A Production method of single nitrogenous heterocyclic ring-containing compound 北京恒瑞新霖科技有限公司 2016-07-13 CN disclosed