SCHEMBL9546643

SCHEMBL9546643

Brc1ccc(Cc2nnn(-c3ccccc3)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.49
CNR2 P34972 4/20 0.43
TRPV1 Q8NER1 3/20 0.43
CNR1 P21554 1/20 0.43
HDAC6 Q9UBN7 1/20 0.41
MGLL Q99685 3/20 0.40
DAGLA Q9Y4D2 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
PKM P14618 2/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
PTK2 Q05397 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MEN1 O00255 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
ALOX15B O15296 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
SCHEMBL4409289 0.89 HPGD (0.55) HPGDCNR2TRPV1CNR1HDAC6
SCHEMBL513770 0.76 HPGD (0.57) HPGDABCG2NPC1RAB9APKM
SCHEMBL512253 0.74 HPGD (0.63) HPGDABCG2NPC1RAB9APKM
SCHEMBL18320656 0.73 HPGD (0.54) HPGDDAGLAABCG2NPC1RAB9A
SCHEMBL4407303 0.73 HPGD (0.57) HPGDABCG2NPC1RAB9APKM
SCHEMBL5739285 0.72 HPGD (0.49) HPGDHDAC6ABCG2NPC1RAB9A
SCHEMBL4409279 0.70 HPGD (0.54) HPGDDAGLAABCG2NPC1RAB9A
SCHEMBL4406572 0.70 ABCG2 (0.50) HPGDABCG2NPC1RAB9APKM
SCHEMBL3229757 0.70 HPGD (0.50) HPGDDAGLAABCG2SIGMAR1
SCHEMBL9077369 0.70 CNR2 (0.38) CNR2TRPV1CNR1HDAC6MGLL

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
WO-1993023373-A1 N-[N'-(5-AMINO-4-HYDROXY-ACYLOYL)-α-AMINOACYLOYL] SUBSTITUTED HETEROCYCLES AND THEIR USE AS ANTIVIRAL AGENTS PFIZER LIMITED (GB) 1993-11-25 WO disclosed