SCHEMBL2923280

SCHEMBL2923280

CCCc1c(OC(=O)NCC2CCCCC2)cnn1-c1ccccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 1/20 0.39
RECQL P46063 1/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
RAB9A P51151 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
P2RX7 Q99572 1/20 0.37
CKS1B P61024 2/20 0.37
SKP1 P63208 2/20 0.37
SKP2 Q13309 2/20 0.37
POLB P06746 1/20 0.37
ALOX15 P16050 1/20 0.37
ENPP2 Q13822 1/20 0.36
GRM1 Q13255 1/20 0.36

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
SCHEMBL2926594 0.87 HPGD (0.42) HPGDALDH1A1KDM4EHSD17B10RECQL
SCHEMBL2924918 0.83 P2RX7 (0.44) HPGDALDH1A1KDM4EHSD17B10NPC1
SCHEMBL2925505 0.81 CNR1 (0.47) ALDH1A1TP53MEN1KMT2ACNR1
SCHEMBL2926527 0.75 RIPK1 (0.47) HPGDALDH1A1NPC1RAB9ACNR1
SCHEMBL2925622 0.74 NPC1 (0.46) HPGDALDH1A1KDM4EHSD17B10NPC1
SCHEMBL2925886 0.73 TSHR (0.43) HPGDALDH1A1NPC1MEN1KMT2A
SCHEMBL2853163 0.73 ALDH1A1 (0.45) ALDH1A1NPC1RAB9APOLB
SCHEMBL2850151 0.72 RAB9A (0.48) ALDH1A1KDM4ERAB9AKMT2A
SCHEMBL2924923 0.71 HSD11B1 (0.53) HPGDALDH1A1NPC1TP53RAB9A
SCHEMBL2862995 0.70 ALDH1A1 (0.43) ALDH1A1RAB9APOLB

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
EP-1615698-B1 NEW AMIDE DERIVATIVES AND PHARMACEUTICAL USE THEREOF HIGH POINT PHARMACEUTICALS LLC (US) 2010-09-29 EP claimed