SCHEMBL21851685

SCHEMBL21851685

COc1ccccc1-c1ncnc2c1cnn2C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.56
SIGMAR1 Q99720 4/20 0.50
PI4KA P42356 1/20 0.45
PI4K2B Q8TCG2 1/20 0.45
PI4K2A Q9BTU6 1/20 0.45
PI4KB Q9UBF8 1/20 0.45
MAPT P10636 4/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
KDM4E B2RXH2 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HTT P42858 1/20 0.44
ALDH1A1 P00352 3/20 0.43
LMNA P02545 2/20 0.43
MEN1 O00255 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SLC2A1 P11166 1/20 0.42
SLC2A2 P11168 1/20 0.42

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
SCHEMBL23996467 0.81 SIGMAR1 (0.60) TP53SIGMAR1PI4KAPI4K2BPI4K2A
SCHEMBL23996466 0.76 DAPK3 (0.54) TP53SIGMAR1PI4KAPI4K2BPI4K2A
SCHEMBL23996445 0.71 PI4KA (0.54) TP53SIGMAR1PI4KAPI4K2BPI4K2A
SCHEMBL21851658 0.71 ALDH1A1 (0.58) TP53PI4KAPI4K2BPI4K2API4KB
SCHEMBL20656568 0.69 ALDH1A1 (0.42) TP53MAPTKDM4EHTTALDH1A1
SCHEMBL3264099 0.69 PI4KA (0.46) TP53PI4KAPI4K2BPI4K2API4KB
SCHEMBL9214072 0.67 MEN1 (0.44) MAPTNPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL27775437 0.66 TSHR (0.44) TP53KDM4ESMN1; SMN2HTTALDH1A1
SCHEMBL31473297 0.65 SMN1; SMN2 (0.46) TP53MAPTNPC1RAB9AKDM4E
Ammonia Solution, Strong SCHEMBL2352030 0.65 HTR2A (0.52) HTTALDH1A1

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