SCHEMBL21187178

SCHEMBL21187178

CCOc1cc(OC)ncc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.45
ALDH1A1 P00352 6/20 0.41
LMNA P02545 2/20 0.41
TXNRD1 Q16881 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 6/20 0.40
KMT2A Q03164 6/20 0.40
NPC1 O15118 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C19 P33261 2/20 0.40
GAA P10253 1/20 0.40
ERN1 O75460 1/20 0.40
RAB9A P51151 1/20 0.40
CYP1A2 P05177 1/20 0.39
PKM P14618 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPK1 P28482 1/20 0.39
RECQL P46063 1/20 0.39
PABPC1 P11940 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
SCHEMBL30399809 0.87 ALDH1A1 (0.46) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL4719832 0.87 ALDH1A1 (0.46) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL26647446 0.83 MAPT (0.46) MAPTALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL24455822 0.81 TXNRD1 (0.43) MAPTALDH1A1LMNATXNRD1SMN1; SMN2
SCHEMBL9327435 0.79 MAPT (0.49) MAPTALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL4594918 0.79 MAPT (0.46) MAPTALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL26087355 0.77 CHEK1 (0.43) MAPTALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL8564000 0.77 ALDH1A1 (0.53) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL1559236 0.77 NNMT (0.47) MAPTALDH1A1TXNRD1SMN1; SMN2MEN1
SCHEMBL3449492 0.76 HCAR3 (0.46) MAPTALDH1A1LMNATXNRD1SMN1; SMN2

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
WO-2019141549-A9 1,2,3',5'-TETRAHYDRO-2'H-SPIRO[INDOLE-3,1'-PYRROLO[3,4-C]PYRROLE]-2,3'-DIONE COMPOUNDS AS THERAPEUTIC AGENTS ACTIVATING TP53 ADAMED PHARMA S.A. (PL) 2019-10-10 WO disclosed
WO-2019141549-A1 1,2,3',5'-TETRAHYDRO-2'H-SPIRO[INDOLE-3,1'-PYRROLO[3,4-C]PYRROLE]-2,3'-DIONE COMPOUNDS AS THERAPEUTIC AGENTS ACTIVATING TP53 ADAMED PHARMA S.A. (PL) 2019-07-25 WO disclosed