SCHEMBL28909262

SCHEMBL28909262

N#C/C(C=O)=C/c1cccc(N(c2ccccc2)c2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
MAPT P10636 5/20 0.48
MAPK1 P28482 2/20 0.48
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.48
SLC16A3 O15427 1/20 0.41
SLC16A1 P53985 1/20 0.41
KDM4E B2RXH2 3/20 0.39
KMT2A Q03164 3/20 0.38
POLB P06746 2/20 0.38
PKM P14618 2/20 0.38
APP P05067 1/20 0.37
MCL1 Q07820 1/20 0.36
ATM Q13315 1/20 0.35
TSHR P16473 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
EGFR P00533 1/20 0.33
ERBB2 P04626 1/20 0.33

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
SCHEMBL30047058 1.00 ALDH1A1 (0.48) ALDH1A1MAPTMAPK1RAB9ANPC1
SCHEMBL13265295 0.81 MCL1 (0.52) ALDH1A1MAPTRAB9ANPC1KDM4E
SCHEMBL4548765 0.81 MCL1 (0.52) ALDH1A1MAPTRAB9ANPC1KDM4E
SCHEMBL628778 0.81 MCL1 (0.52) ALDH1A1MAPTRAB9ANPC1KDM4E
SCHEMBL16255565 0.78 SLC16A3 (0.40) ALDH1A1MAPTMAPK1RAB9ANPC1
SCHEMBL14218454 0.77 ALDH1A1 (0.46) ALDH1A1MAPTMAPK1RAB9AKDM4E
SCHEMBL11556898 0.75 ALDH1A1 (0.52) ALDH1A1MAPTKDM4EKMT2APOLB
SCHEMBL11556894 0.75 ALDH1A1 (0.52) ALDH1A1MAPTKDM4EKMT2APOLB
SCHEMBL881436 0.73 ALDH1A1 (0.52) ALDH1A1MAPTMAPK1KDM4EKMT2A
SCHEMBL12327248 0.72 MCL1 (0.44) ALDH1A1MAPTMAPK1RAB9ASLC16A3

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
CN-115321497-B Carbon nitride material modified by thermal stripping and double covalent bond grafting and preparation method thereof 青海大学 2023-05-26 CN disclosed
CN-115321497-A Thermal stripping and double covalent bond graft modified carbon nitride material and preparation method thereof 青海大学 2022-11-11 CN disclosed