SCHEMBL9499655

SCHEMBL9499655

Nc1c([N+](=O)[O-])ccc2nccnc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
ALDH1A1 P00352 7/20 0.49
MAPT P10636 7/20 0.49
TSHR P16473 2/20 0.44
CYP1A2 P05177 1/20 0.44
PDE10A Q9Y233 1/20 0.42
TDP1 Q9NUW8 3/20 0.41
KDM4E B2RXH2 3/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CTSB P07858 2/20 0.41
HSP90AA1 P07900 2/20 0.41
NCOA1 Q15788 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
NPC1 O15118 1/20 0.41
BRD4 O60885 1/20 0.41
CHRM1 P11229 1/20 0.41
DRD2 P14416 1/20 0.41
ALOX12 P18054 1/20 0.41

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
SCHEMBL31458500 1.00 MEN1 (0.50) MEN1KMT2AALDH1A1MAPTTSHR
SCHEMBL8158440 0.80 MEN1 (0.56) MEN1KMT2AALDH1A1MAPTTSHR
SCHEMBL30592428 0.80 MEN1 (0.65) MEN1KMT2AALDH1A1MAPTTSHR
SCHEMBL203781 0.78 PDE10A (0.50) MEN1KMT2AALDH1A1MAPTTSHR
SCHEMBL1085531 0.76 CYP1A2 (0.65) MEN1KMT2AALDH1A1MAPTTSHR
SCHEMBL29674708 0.76 CYP1A2 (0.65) MEN1KMT2AALDH1A1MAPTTSHR
SCHEMBL29674832 0.76 CYP1A2 (0.65) MEN1KMT2AALDH1A1MAPTTSHR
SCHEMBL12813932 0.75 MEN1 (0.63) MEN1KMT2AALDH1A1MAPTTDP1
SCHEMBL5260391 0.74 PDE10A (0.62) MEN1KMT2AALDH1A1MAPTTSHR
Methane SCHEMBL28139150 0.74 MEN1 (0.61) MEN1KMT2AALDH1A1MAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116438172-A HPK1 kinase modulator, preparation method and application thereof 南京红云生物科技有限公司 2023-07-14 CN disclosed
CN-113717156-B EGFR inhibitor, preparation method and application thereof 南京红云生物科技有限公司 2023-05-09 CN disclosed
CN-115697996-A Alkenyl pyrimidine compound, preparation method and application thereof 南京红云生物科技有限公司 2023-02-03 CN disclosed
CN-113717156-A EGFR inhibitor, preparation method and application thereof 南京红云生物科技有限公司 2021-11-30 CN disclosed
EP-0353531-B1 HAIR DYE Henkel Kommanditgesellschaft auf Aktien (DE) 1993-04-21 EP disclosed
US-5089025-A HAIR DYE COMPOSITIONS AND CERTAIN 1,2,3,4-TETRAHYDRONITROQUINOXALINES USEFUL THEREIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1992-02-18 US disclosed
EP-0426719-A1 A HAIR DYE Henkel Kommanditgesellschaft auf Aktien (DE) 1991-05-15 EP disclosed
WO-1990001050-A1 A HAIR DYE HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1990-02-08 WO disclosed
EP-0353531-A1 Hair dye Henkel Kommanditgesellschaft auf Aktien (DE) 1990-02-07 EP disclosed