SCHEMBL31727784

SCHEMBL31727784

COC(=O)c1cc(Oc2cn[nH]c2)cc(-c2cccc(Cl)c2C)c1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ TDP1 Q9NUW8 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ XDH P47989 1/20 0.35
▸ NR4A2 P43354 2/20 0.34
▸ ABL1 P00519 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ PDE3B Q13370 1/20 0.32
▸ PDE3A Q14432 1/20 0.32
▸ NR1H2 P55055 1/20 0.32
▸ NR1H3 Q13133 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ IDO1 P14902 1/20 0.32
▸ DCTPP1 Q9H773 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32

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
SCHEMBL31728796 0.85 NR4A2 (0.37) MEN1KMT2AMAPTPOLBLMNA
SCHEMBL31728402 0.78 KMT2A (0.44) MEN1KMT2ATDP1MAPTPOLB
SCHEMBL31727787 0.68 IDO1 (0.36) POLBLMNAALDH1A1IDO1KDM4E
SCHEMBL31727767 0.67 PARP1 (0.43) ABL1IDO1
SCHEMBL34472491 0.67 TDP1 (0.52) MEN1KMT2ATDP1MAPTPOLB
SCHEMBL31728397 0.66 IDO1 (0.34) IDO1
SCHEMBL2211359 0.66 KMT2A (0.50) MEN1KMT2ATDP1MAPTPOLB
SCHEMBL30640280 0.65 SLC6A4 (0.48) MEN1KMT2ATDP1LMNAALDH1A1
SCHEMBL28489114 0.65 SLC6A4 (0.48) MEN1KMT2ATDP1LMNAALDH1A1
SCHEMBL31729329 0.65 IDO1 (0.35) MEN1KMT2AMAPTLMNAIDO1

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-2025235874-A1 HETEROCYCLICS AS EGFR INHIBITORS SCHRÖDINGER, INC. (US) 2025-11-13 — — WO disclosed
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