SCHEMBL31557892

SCHEMBL31557892

COC(=O)c1cc(Oc2ccc([N+](=O)[O-])cc2)ccc1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
MAPT P10636 4/20 0.51
NPC1 O15118 1/20 0.51
MAPK1 P28482 1/20 0.51
RAB9A P51151 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
MYOC Q99972 1/20 0.51
KDM4E B2RXH2 2/20 0.50
TDP1 Q9NUW8 2/20 0.47
ALDH1A1 P00352 3/20 0.47
HTT P42858 3/20 0.47
SRD5A2 P31213 1/20 0.47
HSPB1 P04792 1/20 0.46
FFAR1 O14842 1/20 0.46
POLB P06746 1/20 0.46
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44

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
SCHEMBL31557902 0.89 MEN1 (0.51) MEN1KMT2AMAPTNPC1MAPK1
SCHEMBL7118483 0.89 KMT2A (0.54) MEN1KMT2AMAPTNPC1MAPK1
SCHEMBL3512673 0.86 TDP1 (0.62) MEN1KMT2AMAPTNPC1MAPK1
SCHEMBL1026672 0.86 ALDH1A1 (0.54) MEN1KMT2AMAPTNPC1MAPK1
SCHEMBL31557914 0.86 MEN1 (0.60) MEN1KMT2AMAPTNPC1MAPK1
SCHEMBL1319532 0.85 ALDH1A1 (0.55) MEN1KMT2AMAPTKDM4ETDP1
SCHEMBL14907284 0.85 KDM4E (0.49) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL10923404 0.85 MEN1 (0.56) MEN1KMT2AMAPTNPC1MAPK1
SCHEMBL31557904 0.85 MEN1 (0.50) MEN1KMT2AMAPTNPC1MAPK1
SCHEMBL178001 0.85 TDP1 (0.52) MEN1KMT2AMAPTNPC1MAPK1

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-2025102082-A1 CARBOCYCLIC AND HETEROCYCLIC STAT3 INHIBITOR COMPOSITIONS AND METHODS ALTAY THERAPEUTICS, INC. (US) 2025-05-15 WO disclosed