SCHEMBL23449228

SCHEMBL23449228

N=C(N)CCCCC1CC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 1/20 0.44
SPHK1 Q9NYA1 1/20 0.44
F2 P00734 4/20 0.42
PRSS1 P07477 2/20 0.42
KDM5A P29375 4/20 0.38
PHF8 Q9UPP1 4/20 0.38
KDM2A Q9Y2K7 4/20 0.38
KDM4C Q9H3R0 3/20 0.38
KDM7A Q6ZMT4 1/20 0.38
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
KMT2A Q03164 1/20 0.33
TARDBP Q13148 1/20 0.33
KDM4A O75164 1/20 0.32
NOS2 P35228 1/20 0.31
MAPT P10636 1/20 0.30
CYP1A2 P05177 1/20 0.30

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
SCHEMBL6194169 0.98 SPHK1 (0.48) SPHK2SPHK1F2PRSS1KDM5A
Hydrochloric Acid SCHEMBL11579730 0.91 SPHK2 (0.39) SPHK2SPHK1F2PRSS1KDM5A
SCHEMBL22427018 0.82
Hydrochloric Acid SCHEMBL10706288 0.80 SPHK1 (0.50) SPHK2SPHK1LMNAMAPK1HTT
Hydrochloric Acid SCHEMBL10706284 0.80 SPHK1 (0.50) SPHK2SPHK1LMNAMAPK1HTT
SCHEMBL4188390 0.78 KMT2A (0.52) KDM5APHF8KDM2AKDM4CKDM7A
SCHEMBL1457135 0.76 KDM5A (0.50) KDM5APHF8KDM2AKDM4CKDM7A
SCHEMBL7762713 0.76 KDM5A (0.50) KDM5APHF8KDM2AKDM4CKDM7A
SCHEMBL6606128 0.76 KDM5A (0.50) KDM5APHF8KDM2AKDM4CKDM7A
SCHEMBL7851689 0.76 SPHK2 (0.67) SPHK2SPHK1F2PRSS1LMNA

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-2021106988-A1 G9a INHIBITOR 杏林製薬株式会社 2021-06-03 WO disclosed