SCHEMBL30587299

SCHEMBL30587299

Cc1ccc2nc(N)c3nncn3c2c1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.63
HRH4 Q9H3N8 1/20 0.59
HRH3 Q9Y5N1 1/20 0.59
MEN1 O00255 4/20 0.57
POLB P06746 3/20 0.57
RAB9A P51151 2/20 0.57
MAPK1 P28482 1/20 0.57
KDM4E B2RXH2 1/20 0.57
ALDH1A1 P00352 1/20 0.57
THRB P10828 1/20 0.55
TP53 P04637 1/20 0.54
MAPT P10636 1/20 0.54
NPC1 O15118 2/20 0.53
RXFP1 Q9HBX9 1/20 0.53

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
SCHEMBL404180 0.82 KMT2A (0.64) KMT2AHRH4HRH3MEN1POLB
SCHEMBL1629877 0.78 TOP2A (0.60) HRH4MAPK1ALDH1A1MAPT
SCHEMBL38665457 0.78 TOP2A (0.60) HRH4MAPK1ALDH1A1MAPT
SCHEMBL26116598 0.77 KMT2A (1.00) KMT2AMEN1POLBRAB9AKDM4E
SCHEMBL31325815 0.77 KDM4E (0.53) KMT2AMEN1POLBMAPK1KDM4E
SCHEMBL10852385 0.76 KMT2A (0.49) KMT2AMEN1POLBTP53MAPT
SCHEMBL38664610 0.76 KDM4E (0.49) KMT2AMEN1MAPK1KDM4EALDH1A1
SCHEMBL404191 0.74 HRH4 (1.00) KMT2AHRH4HRH3POLBMAPK1
SCHEMBL404201 0.73 HRH4 (0.76) KMT2AHRH4HRH3POLBMAPK1
SCHEMBL10846882 0.73 HCRTR1 (0.46) KMT2AMEN1POLBKDM4E

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-2023183285-A1 METHODS OF DIAGNOSING AND TREATING NEURODEGENERATIVE DISEASES THE GENERAL HOSPITAL CORPORATION (US) 2023-09-28 WO disclosed