SCHEMBL21409922

SCHEMBL21409922

Nc1ccc2[nH]c(-c3ccc4[nH]cnc4c3)nc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.53
KMT2A Q03164 7/20 0.53
RXFP1 Q9HBX9 3/20 0.53
CACNA1B Q00975 2/20 0.53
APBA1 Q02410 2/20 0.53
KDM4E B2RXH2 10/20 0.52
ALDH1A1 P00352 10/20 0.52
MAPT P10636 10/20 0.52
SMN1; SMN2 Q16637 9/20 0.52
HPGD P15428 7/20 0.52
POLB P06746 5/20 0.52
HSD17B10 Q99714 5/20 0.52
GLA P06280 4/20 0.52
USP2 O75604 4/20 0.52
TDP1 Q9NUW8 3/20 0.52
RECQL P46063 2/20 0.52
BLM P54132 2/20 0.52
THRB P10828 2/20 0.52
NFKB1 P19838 2/20 0.52
GMNN O75496 1/20 0.52

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
SCHEMBL14669368 0.93 MEN1 (0.64) MEN1KMT2ARXFP1CACNA1BAPBA1
SCHEMBL417622 0.91 MAPT (0.55) MEN1KMT2ARXFP1CACNA1BAPBA1
SCHEMBL21409923 0.90 MEN1 (0.68) MEN1KMT2ARXFP1CACNA1BAPBA1
SCHEMBL10002475 0.85 ALDH1A1 (0.71) MEN1KMT2ARXFP1CACNA1BAPBA1
SCHEMBL2686936 0.84 NPC1 (0.54) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL1655753 0.83 MEN1 (0.73) MEN1KMT2ARXFP1CACNA1BAPBA1
SCHEMBL30533210 0.83 MEN1 (0.73) MEN1KMT2ARXFP1CACNA1BAPBA1
SCHEMBL14669372 0.83 NPC1 (0.49) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL2569383 0.82 NPC1 (0.56) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL30822560 0.82 NPC1 (0.56) MEN1KMT2AKDM4EALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019189554-A1 CARDIOMYOCYTE MATURATION PROMOTER 国立大学法人京都大学 2019-10-03 WO claimed
WO-2019189553-A1 HETEROCYCLIC COMPOUND 国立大学法人京都大学 2019-10-03 WO disclosed
WO-2019189554-A1 CARDIOMYOCYTE MATURATION PROMOTER 国立大学法人京都大学 2019-10-03 WO disclosed