SCHEMBL31628652

SCHEMBL31628652

Ic1cccc2c1cnn2C1CCCCO1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
RXRG P48443 1/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
CYP4F2 P78329 5/20 0.40
CYP4A11 Q02928 5/20 0.40
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
MAP3K5 Q99683 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ATR Q13535 5/20 0.32
PDE9A O76083 2/20 0.32
DGAT2 Q96PD7 1/20 0.32
SCN9A Q15858 1/20 0.31

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
SCHEMBL1193030 1.00 RXRA (0.42) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL29416187 0.84 RXRA (0.42) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL1141884 0.84 RXRA (0.45) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL476884 0.84 RXRA (0.42) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL4572292 0.84 CYP4F2 (0.46) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL156398 0.84 RXRA (0.42) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL168052 0.84 DDB1 (0.51) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL1760288 0.83 RXRA (0.43) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL27764686 0.83 RXRA (0.42) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL22499301 0.82 RXRA (0.44) RXRARXRBRXRGALDH1A1LMNA

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-2025129168-A1 TRIAZOLONE INHIBITORS OF NICOTINAMIDE N-METHYLTRANSFERASE AND THEIR THERAPEUTIC USES THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2025-06-19 WO disclosed