SCHEMBL38657998

SCHEMBL38657998

COc1cc(C(=O)c2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])c([N+](=O)[O-])cc1OCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.64
MEN1 O00255 5/20 0.57
KMT2A Q03164 5/20 0.57
ALDH1A1 P00352 2/20 0.57
CTSV O60911 2/20 0.55
CTSL P07711 2/20 0.55
CASP3 P42574 1/20 0.55
SENP8 Q96LD8 1/20 0.55
SENP7 Q9BQF6 1/20 0.55
SENP6 Q9GZR1 1/20 0.55
ABCB1 P08183 1/20 0.52
KDM4E B2RXH2 1/20 0.51
MAPT P10636 4/20 0.51
GAA P10253 1/20 0.50
CYP19A1 P11511 1/20 0.50
HTR1A P08908 1/20 0.49
ADRA1D P25100 1/20 0.49
ADRA1A P35348 1/20 0.49
ADRA1B P35368 1/20 0.49
HPGD P15428 2/20 0.49

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
SCHEMBL159283 0.93 CTSV (0.60) LMNAMEN1KMT2AALDH1A1CTSV
SCHEMBL873861 0.93 CTSV (0.60) LMNAMEN1KMT2AALDH1A1CTSV
SCHEMBL340310 0.91 MEN1 (0.56) LMNAMEN1KMT2AALDH1A1CTSV
SCHEMBL13936617 0.91 MEN1 (0.56) LMNAMEN1KMT2AALDH1A1CTSV
SCHEMBL2063806 0.90 MEN1 (0.57) LMNAMEN1KMT2AALDH1A1CTSV
SCHEMBL1013111 0.90 MEN1 (0.57) LMNAMEN1KMT2AALDH1A1CTSV
SCHEMBL873729 0.90 MEN1 (0.57) LMNAMEN1KMT2AALDH1A1CTSV
SCHEMBL29444157 0.90 MEN1 (0.57) LMNAMEN1KMT2AALDH1A1CTSV
SCHEMBL3420694 0.90 LMNA (0.55) LMNAMEN1KMT2AALDH1A1CTSV
SCHEMBL160400 0.90 MEN1 (0.57) LMNAMEN1KMT2AALDH1A1CTSV

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-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