SCHEMBL31554652

SCHEMBL31554652

CC(C(=O)O)c1nn(C)c2cc([N+](=O)[O-])ccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CNR2 P34972 1/20 0.41
F2 P00734 2/20 0.39
PLAU P00749 2/20 0.39
ELANE P08246 2/20 0.39
CTRB1 P17538 2/20 0.39
KLKB1 P03952 1/20 0.39
PHGDH O43175 1/20 0.39
AKR1C3 P42330 3/20 0.39
AKR1C2 P52895 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 6/20 0.38
ALDH1A1 P00352 2/20 0.38
NPC1 O15118 1/20 0.38
NPBWR1 P48145 1/20 0.38
RAB9A P51151 1/20 0.38
MCHR1 Q99705 1/20 0.38

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
SCHEMBL31554662 0.86 LMNA (0.44) L3MBTL1LMNACYP1A2CNR2F2
SCHEMBL31554666 0.82 L3MBTL1 (0.44) L3MBTL1LMNACYP1A2CNR2F2
SCHEMBL2851292 0.79 L3MBTL1 (0.51) L3MBTL1LMNACYP1A2CNR2F2
SCHEMBL3694723 0.79 L3MBTL1 (0.51) L3MBTL1LMNACYP1A2CNR2F2
SCHEMBL2845665 0.75 ELANE (0.47) L3MBTL1LMNACYP1A2CNR2F2
SCHEMBL3380500 0.75 L3MBTL1 (0.52) L3MBTL1CYP1A2CNR2F2PLAU
SCHEMBL3385794 0.74 L3MBTL1 (0.59) L3MBTL1LMNACYP1A2CNR2F2
SCHEMBL2848565 0.74 ELANE (0.61) L3MBTL1LMNACYP1A2CNR2F2
SCHEMBL19586107 0.74 L3MBTL1 (0.51) L3MBTL1CYP1A2CNR2MEN1KMT2A
SCHEMBL30955734 0.74 L3MBTL1 (0.51) L3MBTL1CNR2MEN1KMT2AMAPT

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-2025096706-A1 MODULATORS OF BCL6 AS LIGAND DIRECTED DEGRADERS BRISTOL-MYERS SQUIBB COMPANY (US) 2025-05-08 WO disclosed