SCHEMBL31607751

SCHEMBL31607751

CCOC(=O)c1cc([N+](=O)[O-])c(N)nc1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.58
HSD17B10 Q99714 1/20 0.58
ALDH1A1 P00352 4/20 0.53
HPGD P15428 3/20 0.53
GALR2 O43603 1/20 0.53
MITF O75030 1/20 0.53
LMNA P02545 1/20 0.53
POLB P06746 1/20 0.53
HSP90AA1 P07900 1/20 0.53
XBP1 P17861 1/20 0.53
CCR6 P51684 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
NPC1 O15118 1/20 0.47
ALOX15 P16050 1/20 0.46
CDC7 O00311 1/20 0.46
DBF4 Q9UBU7 1/20 0.46
TSHR P16473 1/20 0.45
MAPT P10636 1/20 0.44
ACHE P22303 3/20 0.44

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
SCHEMBL27137899 1.00 KDM4E (0.58) KDM4EHSD17B10ALDH1A1HPGDGALR2
SCHEMBL8321257 0.88 ALDH1A1 (0.52) KDM4EHSD17B10ALDH1A1HPGDGALR2
SCHEMBL31607744 0.79 KDM4E (0.67) KDM4EHSD17B10ALDH1A1HPGDSMN1; SMN2
SCHEMBL27140789 0.79 KDM4E (0.67) KDM4EHSD17B10ALDH1A1HPGDSMN1; SMN2
SCHEMBL28050634 0.79 KDM4E (0.67) KDM4EHSD17B10ALDH1A1HPGDALOX15
SCHEMBL8661697 0.79 ALDH1A1 (0.54) KDM4EALDH1A1HPGDGALR2MITF
SCHEMBL28813636 0.79 ALDH1A1 (0.54) KDM4EALDH1A1HPGDGALR2MITF
SCHEMBL28813411 0.77 ALDH1A1 (0.53) KDM4EALDH1A1HPGDGALR2MITF
SCHEMBL8322183 0.75 ALDH1A1 (0.53) ALDH1A1HPGDGALR2MITFLMNA
SCHEMBL710164 0.75 NPC1 (0.53) KDM4EALDH1A1HPGDGALR2MITF

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-120091998-A Substituted bicyclic rings as HSET inhibitors 默克专利股份公司 2025-06-03 CN disclosed