SCHEMBL29862956

SCHEMBL29862956

O=C(Nc1cccnc1)c1cccc2cccnc12

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 2/20 0.74
NPC1 O15118 4/20 0.67
RAB9A P51151 3/20 0.67
CASP3 P42574 1/20 0.67
SENP8 Q96LD8 1/20 0.67
SENP7 Q9BQF6 1/20 0.67
SENP6 Q9GZR1 1/20 0.67
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
KDM4E B2RXH2 2/20 0.61
ALDH1A1 P00352 2/20 0.61
HPGD P15428 1/20 0.61
CYP11B2 P19099 2/20 0.59
HTT P42858 2/20 0.56
POLB P06746 1/20 0.55
LMNA P02545 2/20 0.55
HIF1A Q16665 1/20 0.55
CYP11B1 P15538 1/20 0.55
MAPT P10636 1/20 0.54
TSHR P16473 1/20 0.54

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
SCHEMBL27810270 1.00 EGLN1 (0.74) EGLN1NPC1RAB9ACASP3SENP8
SCHEMBL27810327 0.88 EGLN1 (0.58) EGLN1NPC1RAB9ACASP3SENP8
SCHEMBL3041133 0.87 NPC1 (0.76) EGLN1NPC1RAB9ACASP3SENP8
SCHEMBL29863028 0.85 NPC1 (0.74) EGLN1NPC1RAB9ACASP3SENP8
SCHEMBL1031934 0.84 EGLN1 (0.60) EGLN1NPC1RAB9AMEN1KMT2A
SCHEMBL1035431 0.81 EGLN1 (0.54) EGLN1NPC1RAB9AMEN1KMT2A
SCHEMBL29862663 0.80 NPC1 (0.67) EGLN1NPC1RAB9ACASP3SENP8
SCHEMBL7717500 0.80 NPC1 (0.75) EGLN1NPC1RAB9ACASP3SENP8
SCHEMBL1499599 0.79 CYP11B2 (0.71) EGLN1NPC1MEN1KMT2AKDM4E
SCHEMBL1507696 0.79 MAPT (0.78) NPC1RAB9ACASP3SENP8SENP7

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
CN-114867719-B Pyrrolidine and piperidine compounds 柳韩洋行 2024-06-25 CN disclosed
CN-114867719-A Pyrrolidine and piperidine compounds 柳韩洋行 2022-08-05 CN disclosed