SCHEMBL27918366

SCHEMBL27918366

C=CCOC1CCN(c2ccc(C(=O)N=[N+]=Nc3ccc4c(ccn4-c4ccc(C(=O)NC5CC5)cc4)c3)cc2)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.36
SMYD3 Q9H7B4 2/20 0.35
MAPT P10636 3/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 1/20 0.32
AR P10275 1/20 0.32
BRD4 O60885 2/20 0.31
PARP1 P09874 2/20 0.31
MGLL Q99685 1/20 0.31
MAPK14 Q16539 2/20 0.31
MAPK11 Q15759 1/20 0.30
DRD2 P14416 2/20 0.30
HTR2A P28223 2/20 0.30
DRD3 P35462 2/20 0.30
PLK1 P53350 1/20 0.30
PLK2 Q9NYY3 1/20 0.30
MEN1 O00255 1/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL1663977 0.83 SMYD3 (0.39) HPGDSSMYD3MAPTRAB9ANPC1
SCHEMBL27937008 0.75 HPGDS (0.33) HPGDSSMYD3MGLL
SCHEMBL13964566 0.73 KMT2A (0.39) MAPTRAB9ANPC1ALDH1A1KDM4E
SCHEMBL1666784 0.67 SMYD3 (0.46) HPGDSSMYD3MAPTRAB9ANPC1
SCHEMBL1666783 0.67 SMYD3 (0.46) HPGDSSMYD3MAPTRAB9ABRD4
SCHEMBL1667322 0.67 HPGDS (0.48) HPGDSSMYD3MAPTRAB9ANPC1
SCHEMBL1667320 0.66 HPGDS (0.49) HPGDSSMYD3MAPTRAB9ANPC1
SCHEMBL1663882 0.65 USP2 (0.55) HPGDSMAPTRAB9ANPC1ALDH1A1
SCHEMBL1664403 0.65 BRD4 (0.57) HPGDSSMYD3RAB9ANPC1AR
SCHEMBL1664406 0.65 NPC1 (0.53) HPGDSRAB9ANPC1BRD4MAPK14

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-103282034-A Use of hematopoietic growth factor mimetics LIGAND PHARM INC 2013-09-04 CN disclosed