SCHEMBL21663545

SCHEMBL21663545

COc1ccc([N+](=O)[O-])cc1NC1CCCCC1

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 2/20 0.88
▸ L3MBTL1 Q9Y468 2/20 0.88
▸ MAPT P10636 7/20 0.63
▸ LMNA P02545 4/20 0.63
▸ SMN1; SMN2 Q16637 4/20 0.63
▸ ALDH1A1 P00352 4/20 0.63
▸ CRHBP P24387 2/20 0.63
▸ CRHR2 Q13324 2/20 0.63
▸ CYP3A4 P08684 2/20 0.62
▸ CYP2C19 P33261 2/20 0.62
▸ CYP2C9 P11712 1/20 0.62
▸ KMT2A Q03164 8/20 0.58
▸ MEN1 O00255 7/20 0.55
▸ POLB P06746 3/20 0.55
▸ GAA P10253 1/20 0.52
▸ NPBWR1 P48145 1/20 0.51
▸ MCHR1 Q99705 1/20 0.51
▸ HTT P42858 2/20 0.50
▸ PTGES O14684 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50

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
SCHEMBL21644442 0.84 L3MBTL1 (0.75) NPSR1L3MBTL1MAPTLMNASMN1; SMN2
SCHEMBL21644441 0.84 L3MBTL1 (0.75) NPSR1L3MBTL1MAPTLMNASMN1; SMN2
SCHEMBL28581411 0.81 L3MBTL1 (0.67) NPSR1L3MBTL1MAPTLMNASMN1; SMN2
SCHEMBL28581410 0.81 L3MBTL1 (0.67) NPSR1L3MBTL1MAPTLMNASMN1; SMN2
SCHEMBL18194711 0.80 NPSR1 (0.66) NPSR1L3MBTL1MAPTLMNASMN1; SMN2
SCHEMBL19381680 0.79 MAPT (0.63) NPSR1L3MBTL1MAPTLMNASMN1; SMN2
SCHEMBL5704500 0.78 CYP19A1 (0.62) NPSR1L3MBTL1MAPTLMNASMN1; SMN2
SCHEMBL2169670 0.78 KMT2A (0.65) NPSR1L3MBTL1MAPTLMNASMN1; SMN2
SCHEMBL23786250 0.77 MAPT (0.69) NPSR1L3MBTL1MAPTLMNASMN1; SMN2
SCHEMBL8607686 0.77 MAPT (0.69) NPSR1L3MBTL1MAPTLMNASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020028724-A1 SUBSTITUTED-3H-IMIDAZO[4,5-C]PYRIDINE AND 1H-PYRROLO[2,3-C]PYRIDINE SERIES OF NOVEL ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE-1 (ENPP1) AND STIMULATOR FOR INTERFERON GENES (STING) MODULATORS AS CANCER IMMUNOTHERAPEUTICS Stingray Therapeutics, Inc. (US) 2020-02-06 — — WO disclosed
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