SCHEMBL20041448

SCHEMBL20041448

C=C1Sc2c(C)cccc2N1c1ccccc1N

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 2/20 0.40
USP2 O75604 2/20 0.40
TP53 P04637 1/20 0.40
HTT P42858 1/20 0.40
CYP3A4 P08684 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
CD44 P16070 1/20 0.36
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
ADRA2C P18825 1/20 0.33
DPP4 P27487 1/20 0.33
MGLL Q99685 1/20 0.32
KEAP1 Q14145 1/20 0.32
TSHR P16473 1/20 0.31
PIK3CA P42336 1/20 0.31

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
SCHEMBL20041447 0.73 KMT2A (0.38) GAAMEN1KMT2AKDM4EUSP2
SCHEMBL24858858 0.69 MGLL (0.37) GAAMEN1KMT2AHTTALDH1A1
SCHEMBL20041457 0.69 GAA (0.40) GAAMEN1KMT2AKDM4EUSP2
SCHEMBL20041446 0.67 KMT2A (0.38) GAAMEN1KMT2AKDM4EUSP2
SCHEMBL17882362 0.65 DPP4 (0.47) GAAMEN1KMT2AKDM4EUSP2
SCHEMBL24858849 0.64 MAOA (0.46) MEN1KMT2ATDP1ALDH1A1MAPT
SCHEMBL31316644 0.63 MAOA (0.50) GAAMEN1KMT2AKDM4EUSP2
SCHEMBL31316643 0.63 MAOA (0.50) GAAMEN1KMT2AKDM4EUSP2
O-Tolylamine SCHEMBL11231934 0.62 CYP3A4 (0.88) GAAMEN1KMT2AKDM4EUSP2
SCHEMBL628362 0.61 MAOA (0.64) MEN1KMT2ATP53HTTTDP1

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
EP-2982676-B1 Benzimidazo[2,1-B]benzoxazoles for electronic applications IDEMITSU KOSAN CO (JP) 2018-04-11 EP disclosed