SCHEMBL30719396

SCHEMBL30719396

CN1CCN(c2nccn(-c3ccc(-c4cccnn4)cc3)c2=O)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.39
HRH4 Q9H3N8 2/20 0.38
WEE1 P30291 1/20 0.37
HIF1A Q16665 2/20 0.37
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
XBP1 P17861 1/20 0.36
RAB9A P51151 1/20 0.36
KLF5 Q13887 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
HTR1A P08908 1/20 0.36
HTR2C P28335 1/20 0.36
HTR3A P46098 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 1/20 0.36
CHIA Q9BZP6 1/20 0.36
USP2 O75604 1/20 0.36

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
SCHEMBL30719383 0.87 MAPKAPK2 (0.39) HIF1AHTR3EHTR3BHTR1AHTR2C
SCHEMBL30719401 0.82 HRH4 (0.40) SYKHRH4HIF1AKDM4ERAB9A
SCHEMBL21552971 0.79 SYK (0.36) SYKHRH4WEE1HIF1AKDM4E
SCHEMBL23258203 0.77 SYK (0.38) SYKWEE1KDM4ENPC1MAPT
SCHEMBL21553068 0.77 SYK (0.40) SYKWEE1
SCHEMBL30719408 0.68 MAPKAPK2 (0.42) KDM4EHTR2CALDH1A1
SCHEMBL21553121 0.67 SLC6A7 (0.34) MAPTALDH1A1
SCHEMBL27783444 0.66 DHFR (0.44) HRH4MAPT
SCHEMBL21553076 0.66 SLC6A7 (0.34) SYKMAPTALDH1A1
SCHEMBL30719399 0.64 LMNA (0.45) MAPTRAB9ASMN1; SMN2ALDH1A1

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
CN-112513020-B KDM1A inhibitors for the treatment of diseases 伊美格生物科学公司 2024-02-23 CN disclosed