SCHEMBL365229

SCHEMBL365229

NC(=O)c1c2ccccc2n2cc(C(=O)N3CCOCC3)ccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.48
CNR2 P34972 2/20 0.47
TSHR P16473 1/20 0.45
ALDH1A1 P00352 3/20 0.45
PHGDH O43175 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.42
MAPK1 P28482 1/20 0.42
CNR1 P21554 1/20 0.42
KDM4E B2RXH2 2/20 0.42
JAK2 O60674 2/20 0.41
JAK1 P23458 2/20 0.41
TYK2 P29597 2/20 0.41
JAK3 P52333 2/20 0.41
LMNA P02545 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
CYP1A2 P05177 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 1/20 0.41
DNMT1 P26358 1/20 0.41

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
SCHEMBL367333 0.89 HPGD (0.52) HPGDCNR2TSHRALDH1A1PHGDH
SCHEMBL365335 0.85 CNR2 (0.47) HPGDCNR2ALDH1A1L3MBTL1CNR1
SCHEMBL365228 0.81 HPGD (0.47) HPGDCNR2TSHRCNR1KDM4E
SCHEMBL365101 0.81 KMT2A (0.51) TSHRKDM4ECYP1A2SMN1; SMN2KMT2A
SCHEMBL367764 0.80 EGFR (0.45) HPGDTSHRALDH1A1L3MBTL1KDM4E
SCHEMBL365259 0.78 KDM4E (0.44) HPGDALDH1A1KDM4ECYP1A2
SCHEMBL367330 0.77 EGFR (0.46) HPGDALDH1A1KDM4EPOLBKMT2A
SCHEMBL366310 0.76 ALDH1A1 (0.52) HPGDALDH1A1L3MBTL1CNR1KDM4E
SCHEMBL365635 0.74 IDO1 (0.44) HPGDALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL366811 0.72 EGFR (0.44) HPGDTSHRALDH1A1L3MBTL1KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012007008-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO claimed
WO-2012007008-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO disclosed