SCHEMBL31539367

SCHEMBL31539367

Cc1cc(Cl)nc(N2CC[C@H](O)C2)n1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.47
HSD17B10 Q99714 6/20 0.47
NPSR1 Q6W5P4 3/20 0.47
HPGD P15428 3/20 0.47
USP2 O75604 2/20 0.47
ALDH1A1 P00352 4/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HTT P42858 2/20 0.43
TSHR P16473 2/20 0.40
GAA P10253 2/20 0.40
IDH2 P48735 1/20 0.40
AR P10275 1/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
RBP4 P02753 1/20 0.38
TTR P02766 1/20 0.38

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
SCHEMBL27680972 0.81 RBP4 (0.54) KDM4EHSD17B10NPSR1HPGDUSP2
SCHEMBL13034556 0.79 KDM4E (0.65) KDM4EHSD17B10NPSR1HPGDUSP2
SCHEMBL26604160 0.76 MAPT (0.52) KDM4ENPSR1ALDH1A1MEN1KMT2A
SCHEMBL26604164 0.76 MAPT (0.52) KDM4ENPSR1ALDH1A1MEN1KMT2A
SCHEMBL31539442 0.76 HRH4 (0.45) KDM4EHSD17B10NPSR1HPGDUSP2
SCHEMBL29826722 0.75 HTT (0.51) KDM4EHSD17B10NPSR1HPGDUSP2
SCHEMBL3410110 0.75 HTT (0.51) KDM4EHSD17B10NPSR1HPGDUSP2
SCHEMBL12344127 0.75 HTT (0.51) KDM4EHSD17B10NPSR1HPGDUSP2
SCHEMBL20343554 0.75 HTT (0.45) KDM4EHSD17B10NPSR1HPGDUSP2
SCHEMBL31402767 0.74 SMO (0.42) IDH2AR

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-2025054132-A1 ANTIBACTERIAL COMPOUNDS ARREPATH, INC. (US) 2025-03-13 WO disclosed