SCHEMBL31728796

SCHEMBL31728796

COC(=O)c1cc(Oc2cn[nH]c2)cc(-c2cccc(Cl)c2C)c1N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR4A2 P43354 2/20 0.37
▸ TSHR P16473 2/20 0.36
▸ ABL1 P00519 2/20 0.35
▸ CHRNA7 P36544 1/20 0.35
▸ IDO1 P14902 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ MAPT P10636 3/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ HTT P42858 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ NR1H2 P55055 1/20 0.34
▸ NR1H3 Q13133 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ LMNA P02545 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ ROCK2 O75116 4/20 0.33

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
SCHEMBL31727784 0.85 MEN1 (0.38) NR4A2ABL1IDO1ALDH1A1MAPT
SCHEMBL31728745 0.76 SLC6A3 (0.40) NR4A2TSHRABL1CHRNA7ALDH1A1
SCHEMBL31729329 0.73 IDO1 (0.35) IDO1MAPTMEN1KMT2ALMNA
SCHEMBL31728397 0.73 IDO1 (0.34) IDO1PDE4B
SCHEMBL31727787 0.70 IDO1 (0.36) IDO1ALDH1A1LMNAPOLBPDE4B
SCHEMBL31727767 0.70 PARP1 (0.43) ABL1IDO1
SCHEMBL31729020 0.64 KDM4C (0.47) IDO1
SCHEMBL724484 0.64 NR4A2 (0.53) NR4A2TSHRALDH1A1MAPTMEN1
SCHEMBL34472980 0.64 ABL1 (0.50) NR4A2ABL1ALDH1A1MAPTMEN1
SCHEMBL30593461 0.64 KMT2A (0.51) TSHRALDH1A1MAPTMEN1NPC1

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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