SCHEMBL21851665

SCHEMBL21851665

CCCOc1ncnc2c1nnn2-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.51
HPGD P15428 5/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
HSD17B10 Q99714 2/20 0.48
TP53 P04637 2/20 0.48
SLC2A1 P11166 1/20 0.47
SLC2A2 P11168 1/20 0.47
SLC2A3 P11169 1/20 0.47
MAPT P10636 8/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
KDM4E B2RXH2 3/20 0.44
LMNA P02545 3/20 0.44
HTT P42858 1/20 0.44
MCL1 Q07820 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
TSHR P16473 3/20 0.40
RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL21851664 0.93 ALDH1A1 (0.48) ALDH1A1HPGDNPC1RAB9AHSD17B10
SCHEMBL11312761 0.89 ALDH1A1 (0.50) ALDH1A1HPGDNPC1RAB9AHSD17B10
SCHEMBL23996463 0.83 ALDH1A1 (0.57) ALDH1A1HPGDNPC1RAB9AHSD17B10
SCHEMBL21851662 0.82 DAPK1 (0.54) ALDH1A1HPGDNPC1RAB9AHSD17B10
SCHEMBL21851661 0.79 ALDH1A1 (0.51) ALDH1A1HPGDNPC1RAB9AHSD17B10
SCHEMBL23996454 0.77 ALDH1A1 (0.52) ALDH1A1HPGDNPC1RAB9AHSD17B10
SCHEMBL21851657 0.74 TP53 (0.60) ALDH1A1HPGDNPC1RAB9AHSD17B10
SCHEMBL4928544 0.72 ALDH1A1 (0.56) ALDH1A1HPGDNPC1RAB9AHSD17B10
SCHEMBL23996438 0.71 TP53 (0.52) ALDH1A1HPGDNPC1RAB9AHSD17B10
SCHEMBL12102616 0.71 ALDH1A1 (0.55) ALDH1A1HPGDNPC1RAB9AHSD17B10

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
US-20210347964-A1 RESIN COMPOSITION AND ELECTRONIC DEVICE Konica Minolta, Inc. (JP) 2021-11-11 US disclosed
WO-2020071415-A1 RESIN COMPOSITION AND ELECTRONIC DEVICE コニカミノルタ株式会社 2020-04-09 WO disclosed