SCHEMBL22451602

SCHEMBL22451602

Nc1ccc(Br)cc1/C=C(\CO)[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR5 P51681 4/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ GLA P06280 1/20 0.36
▸ ERN1 O75460 2/20 0.33
▸ PTGDR2 Q9Y5Y4 1/20 0.33
▸ MAPT P10636 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ POLB P06746 2/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ PLAU P00749 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ CASP1 P29466 1/20 0.31
▸ G6PD P11413 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ CTDSP1 Q9GZU7 1/20 0.31

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
SCHEMBL4227930 0.74 FBP1 (0.42) MAPTALDH1A1CYP3A4G6PDLMNA
SCHEMBL4227927 0.74 FBP1 (0.42) MAPTALDH1A1CYP3A4G6PDLMNA
SCHEMBL4227933 0.74 FBP1 (0.42) MAPTALDH1A1CYP3A4G6PDLMNA
SCHEMBL29096570 0.72 ERN1 (0.49) KDM4EGLAERN1MAPTALDH1A1
SCHEMBL29096568 0.72 ERN1 (0.49) KDM4EGLAERN1MAPTALDH1A1
SCHEMBL21812463 0.70 KDM4E (0.42) KDM4EGLAERN1MAPTALDH1A1
SCHEMBL27229848 0.68 MAPT (0.35) MAPTALDH1A1POLBLMNAKMT2A
SCHEMBL27232550 0.68 MAPT (0.35) MAPTALDH1A1POLBLMNAKMT2A
SCHEMBL791039 0.66 ERN1 (0.57) KDM4EGLAERN1PTGDR2MAPT
SCHEMBL31456065 0.66 PRKDC (0.41) KDM4EERN1MAPTALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020190734-A1 IMMUNOCONJUGATES TARGETING PD-L1 BOLT BIOTHERAPEUTICS, INC. (US) 2020-09-24 — — WO disclosed
WO-2020190731-A1 IMMUNOCONJUGATES TARGETING HER2 BOLT BIOTHERAPEUTICS, INC. (US) 2020-09-24 — — WO disclosed
WO-2020190760-A1 IMMUNOCONJUGATES TARGETING CEA BOLT BIOTHERAPEUTICS, INC. (US) 2020-09-24 — — WO disclosed
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