SCHEMBL30102420

SCHEMBL30102420

CCc1cc(NCC2CCCCC2)c(N)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.41
KDM4C Q9H3R0 2/20 0.39
AOC1 P19801 1/20 0.39
AOC3 Q16853 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ASPH Q12797 1/20 0.38
RIOX2 Q8IUF8 1/20 0.38
KDM8 Q8N371 1/20 0.38
CD38 P28907 1/20 0.37
AAK1 Q2M2I8 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ALDH3A1 P30838 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD11B1 P28845 1/20 0.35
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
ALOX15 P16050 2/20 0.34

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
SCHEMBL30102415 0.81 ACHE (0.33) PTGER4AAK1ALOX15TAS1R3TAS1R1
SCHEMBL8885032 0.74 PTGER4 (0.43) PTGER4KDM4CAOC1AOC3KDM4E
SCHEMBL27925730 0.70 KMT2A (0.52) KDM4CAOC1AOC3CD38ALDH1A1
SCHEMBL6608117 0.69 PTGER4 (0.47) PTGER4KDM4CKDM4EASPHRIOX2
SCHEMBL2950591 0.68 AAK1 (0.62) PTGER4KDM4CAOC1AOC3KDM4E
SCHEMBL1528478 0.68 AAK1 (0.51) PTGER4KDM4CAOC1AOC3KDM4E
SCHEMBL13493867 0.68 APP (0.39) PTGER4AOC1AOC3NPC1RAB9A
SCHEMBL10368992 0.68 GAA (0.50) KDM4ENPC1RAB9AALDH1A1MEN1
SCHEMBL3930758 0.68 PTGER4 (0.51) PTGER4KDM4CKDM4EASPHRIOX2
SCHEMBL7470752 0.67 CD44 (0.48) NPC1ALDH1A1ALOX15

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
WO-2022272313-A1 MODULATORS OF HISTONE ACETYLTRANSFERASE 1 AND METHODS OF TREATMENT THEREOF THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2022-12-29 WO disclosed