SCHEMBL24465478

SCHEMBL24465478

NC(=O)c1cc(OCCCO)c(NC/C=C/CNc2c(OCCCN3CCOCC3)cc(C(N)=O)cc2[N+](=O)[O-])c([N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.53
ALDH1A1 P00352 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
STING1 Q86WV6 2/20 0.43
MAPT P10636 4/20 0.42
LMNA P02545 4/20 0.42
GAA P10253 1/20 0.41
POLB P06746 1/20 0.39
PKM P14618 1/20 0.39
KMT2A Q03164 2/20 0.39
EPHX2 P34913 3/20 0.39
USP2 O75604 1/20 0.39
MEN1 O00255 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL19451647 0.96 KDM4E (0.56) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL19436485 0.96 KDM4E (0.56) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL22925640 0.93 KDM4E (0.53) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL19436545 0.92 KDM4E (0.52) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL29626051 0.92 KDM4E (0.52) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL19436543 0.92 KDM4E (0.52) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
Hydrochloric Acid SCHEMBL31016310 0.92 KDM4E (0.52) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL24467510 0.91 KDM4E (0.51) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL26980193 0.89 KDM4E (0.49) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL26979835 0.89 KDM4E (0.49) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A

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
EP-4006024-A1 HETEROCYCLIC AMIDE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Jemincare Pharmaceuticals Co., Ltd. (CN) 2022-06-01 EP disclosed