SCHEMBL29451515

SCHEMBL29451515

COCCOCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.52
▸ KMT2A Q03164 4/20 0.52
▸ MAPT P10636 1/20 0.52
▸ ALDH1A1 P00352 6/20 0.51
▸ CCNT1 O60563 1/20 0.47
▸ FLT3 P36888 1/20 0.47
▸ PIK3CA P42336 1/20 0.47
▸ CDK9 P50750 1/20 0.47
▸ PDE2A O00408 1/20 0.47
▸ PDE5A O76074 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ NFKB1 P19838 1/20 0.47
▸ APEX1 P27695 1/20 0.47
▸ PDE4A P27815 1/20 0.47
▸ BLM P54132 1/20 0.47
▸ PDE1B Q01064 1/20 0.47
▸ PMP22 Q01453 1/20 0.47
▸ PDE4B Q07343 1/20 0.47
▸ PDE4D Q08499 1/20 0.47

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
SCHEMBL17319511 0.82 ALDH1A1 (0.56) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL29451590 0.80 ALDH1A1 (0.53) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL11068177 0.80 ALDH1A1 (0.48) MEN1KMT2AMAPTALDH1A1ALOX15
SCHEMBL11471560 0.80 MEN1 (0.57) MEN1KMT2AMAPTALDH1A1CCNT1
SCHEMBL12776234 0.80 ALDH1A1 (0.62) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL22500869 0.78 ALDH1A1 (0.43) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL29670437 0.76 ALOX5 (0.47) MEN1KMT2AMAPTALDH1A1CCNT1
SCHEMBL20202311 0.76 ALDH1A1 (0.66) MEN1KMT2AMAPTALDH1A1ALOX15
SCHEMBL11773684 0.76 MAPK1 (0.47) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL4980377 0.75 ALDH1A1 (0.57) MEN1KMT2AMAPTALDH1A1PDE2A

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-2022032144-A1 SUBSTRATE ADAPTOR INHIBITORS OF PRMT5 AND USES THEREOF THE BROAD INSTITUTE, INC. (US) 2022-02-10 — — WO disclosed
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