SCHEMBL31151917

SCHEMBL31151917

[2H]C([2H])([2H])Oc1cc(C(=O)O)c([N+](=O)[O-])cc1OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CTSV O60911 5/20 0.53
▸ CTSL P07711 5/20 0.53
▸ MEN1 O00255 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ LMNA P02545 1/20 0.46
▸ CYP19A1 P11511 1/20 0.45
▸ ABCB1 P08183 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ SENP8 Q96LD8 1/20 0.45
▸ SENP7 Q9BQF6 1/20 0.45
▸ SENP6 Q9GZR1 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ MAPT P10636 2/20 0.44
▸ FOLH1 Q04609 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ SRD5A1 P18405 1/20 0.43
▸ SRD5A2 P31213 1/20 0.43

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
SCHEMBL873861 0.92 CTSV (0.60) CTSVCTSLMEN1KMT2AALDH1A1
SCHEMBL159283 0.92 CTSV (0.60) CTSVCTSLMEN1KMT2AALDH1A1
SCHEMBL8316504 0.90 CTSV (0.61) CTSVCTSLMEN1KMT2AALDH1A1
SCHEMBL1783172 0.90 MEN1 (0.52) CTSVCTSLMEN1KMT2AALDH1A1
SCHEMBL16053347 0.86 CTSV (0.56) CTSVCTSLMEN1KMT2AALDH1A1
SCHEMBL19035902 0.85 CTSV (0.57) CTSVCTSLMEN1KMT2AALDH1A1
SCHEMBL8094959 0.85 LMNA (0.48) MEN1KMT2AALDH1A1LMNAPOLB
SCHEMBL38657998 0.84 LMNA (0.64) CTSVCTSLMEN1KMT2AALDH1A1
SCHEMBL28257932 0.84 CTSV (0.63) CTSVCTSLMEN1KMT2AALDH1A1
SCHEMBL13936617 0.83 MEN1 (0.56) CTSVCTSLMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2026098315-A1 HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2026-05-15 — — WO disclosed
WO-2024235121-A1 FUSED RING COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2024-11-21 — — WO disclosed
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