SCHEMBL22556852

SCHEMBL22556852

COc1cc([N+](=O)[O-])cnc1OC(C)=O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.46
MEN1 O00255 2/20 0.46
PKM P14618 4/20 0.46
HTT P42858 3/20 0.46
MAPT P10636 3/20 0.43
EPHX1 P07099 1/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
ATM Q13315 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ERN1 O75460 1/20 0.41
LMNA P02545 1/20 0.41
CYP2C19 P33261 1/20 0.40

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
SCHEMBL2207311 0.84 HTT (0.50) KMT2AMEN1PKMHTTMAPT
SCHEMBL29865611 0.84 HTT (0.50) KMT2AMEN1PKMHTTMAPT
SCHEMBL28563085 0.81 MAPT (0.44) PKMHTTMAPTGAASMN1; SMN2
SCHEMBL14831812 0.79 HTT (0.45) KMT2AMEN1PKMHTTMAPT
SCHEMBL3648669 0.76 ERN1 (0.50) KMT2AMEN1PKMHTTMAPT
SCHEMBL15081220 0.76 CYP2C19 (0.42) KMT2AMEN1PKMHTTMAPT
SCHEMBL22556860 0.75 TNFSF11 (0.42) HTTSMN1; SMN2LMNA
SCHEMBL25254525 0.75 KMT2A (0.43) KMT2AMEN1PKMHTTMAPT
SCHEMBL30465571 0.75 KMT2A (0.43) KMT2AMEN1PKMHTTMAPT
SCHEMBL8977448 0.74 HTT (0.58) KMT2AMEN1PKMHTTMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3956322-A1 JAK1 SELECTIVE KINASE INHIBITOR DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD. (CN) 2022-02-23 EP disclosed
WO-2020211839-A1 JAK1 SELECTIVE KINASE INHIBITOR DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD. (CN) 2020-10-22 WO disclosed