SCHEMBL31715399

SCHEMBL31715399

CNC(=O)c1cccc([N+](=O)[O-])n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.49
LCLAT1 Q6UWP7 1/20 0.44
P2RX7 Q99572 1/20 0.40
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
POLB P06746 2/20 0.39
GRM5 P41594 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
CNR1 P21554 1/20 0.38
PLK1 P53350 1/20 0.38
KMT2A Q03164 2/20 0.37
PARP1 P09874 1/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL11621454 0.84 LCLAT1 (0.42) LCLAT1P2RX7PTGS1PTGS2POLB
SCHEMBL20557311 0.83 SMN1; SMN2 (0.43) LCLAT1P2RX7POLBCYP1A2CNR1
SCHEMBL8403540 0.80 BRD4 (0.62) BRD4P2RX7PTGS1PTGS2POLB
SCHEMBL2482068 0.79 KDM4E (0.59) LCLAT1KMT2AMEN1
SCHEMBL31357967 0.79 KDM4E (0.59) LCLAT1KMT2AMEN1
SCHEMBL7692521 0.77 TSHR (0.43) LCLAT1CYP3A4KMT2APARP1MEN1
SCHEMBL20557118 0.77 TSHR (0.43) LCLAT1POLBCYP1A2CYP3A4CYP2D6
SCHEMBL18147143 0.76 MAPT (0.59) LCLAT1PTGS1PTGS2POLBKMT2A
SCHEMBL31661294 0.76 LCLAT1 (0.36) LCLAT1POLBKMT2AMEN1
Acetic Acid SCHEMBL28994695 0.75 TSHR (0.39) LCLAT1POLBKMT2AMEN1CTDSP1

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-2025226545-A1 MODULATORS OF MITOCHONDRIAL DNA REPLICATION PRETZEL THERAPEUTICS, INC. (US) 2025-10-30 WO disclosed