SCHEMBL9852009

SCHEMBL9852009

CNC(=O)c1cccn1CCC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.44
BRD2 P25440 1/20 0.44
BRD3 Q15059 1/20 0.44
BRDT Q58F21 1/20 0.44
PARP1 P09874 1/20 0.41
ESR1 P03372 1/20 0.41
MAPT P10636 3/20 0.41
LMNA P02545 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 1/20 0.41
ALOX12 P18054 1/20 0.41
RECQL P46063 1/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CREBBP Q92793 1/20 0.39
CNR2 P34972 2/20 0.39
EGLN3 Q9H6Z9 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
CNR1 P21554 1/20 0.37

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
SCHEMBL5508305 0.81 PARP1 (0.46) PARP1ESR1MAPTLMNAMEN1
SCHEMBL9037906 0.76 NPC1 (0.48) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL17234166 0.75 PARP1 (0.49) PARP1ESR1MAPTLMNAMEN1
SCHEMBL9037774 0.74 NPSR1 (0.47) LMNAALDH1A1NPC1RAB9ACNR2
SCHEMBL12881525 0.73 RAB9A (0.56) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL6993812 0.72 NPC1 (0.47) BRD4MAPTLMNAMEN1KMT2A
SCHEMBL30065638 0.72 LMNA (0.42) BRD4BRD2BRD3BRDTMAPT
SCHEMBL28345767 0.71 FABP4 (0.45) PARP1MAPTLMNAMEN1KMT2A
SCHEMBL1389098 0.71 KDM1A (0.46) BRD4MAPTMEN1KMT2ANPC1
SCHEMBL7390566 0.70 PARP1 (0.54) PARP1ESR1MAPTLMNAMEN1

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-0441349-A1 Pyrroloazepine derivatives SUNTORY LIMITED (JP) 1991-08-14 EP disclosed