SCHEMBL28463566

SCHEMBL28463566

CC(N)NCC1CCCO1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.47
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HPGD P15428 4/20 0.41
TP53 P04637 1/20 0.41
ALOX12 P18054 1/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HTT P42858 2/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL12201638 0.86 USP2 (0.46) ANPEPUSP2SMN1; SMN2HPGDTP53
SCHEMBL12201657 0.86 USP2 (0.46) ANPEPUSP2SMN1; SMN2HPGDTP53
SCHEMBL105301 0.86 USP2 (0.46) ANPEPUSP2SMN1; SMN2HPGDTP53
SCHEMBL27748456 0.81 ANPEP (0.45) ANPEPUSP2SMN1; SMN2HPGDTP53
SCHEMBL15671001 0.81 ANPEP (0.45) ANPEPUSP2SMN1; SMN2HPGDTP53
SCHEMBL23781483 0.81 ANPEP (0.42) ANPEPUSP2SMN1; SMN2HPGDTP53
SCHEMBL8795712 0.81 USP2 (0.46) ANPEPUSP2SMN1; SMN2HPGDTP53
SCHEMBL14018975 0.81 USP2 (0.42) ANPEPUSP2SMN1; SMN2HPGDTP53
SCHEMBL6846193 0.81 USP2 (0.42) ANPEPUSP2SMN1; SMN2HPGDTP53
SCHEMBL9684500 0.80 KMT2A (0.42) ANPEPUSP2SMN1; SMN2HPGDTP53

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-107522659-B 3-nitroquinoline derivative and preparation method and application thereof 云南大学 2020-09-29 CN disclosed