SCHEMBL31629008

SCHEMBL31629008

O=C(Oc1nc[nH]n1)N1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.51
POLB P06746 1/20 0.51
SMN1; SMN2 Q16637 6/20 0.44
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
MAPT P10636 5/20 0.44
HTT P42858 2/20 0.44
LMNA P02545 3/20 0.43
NPSR1 Q6W5P4 3/20 0.43
GAA P10253 1/20 0.42
TSHR P16473 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
LIPA P38571 3/20 0.41
KDM4E B2RXH2 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
HSD17B10 Q99714 2/20 0.40
GLA P06280 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL30186844 0.85 TPSAB1 (0.40) ALDH1A1POLBSMN1; SMN2GAAHPGD
SCHEMBL30473912 0.77 ALDH1A1 (0.56) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL10780710 0.72 HPGD (0.46) ALDH1A1POLBMEN1KMT2ANPSR1
SCHEMBL10777869 0.70 HPGD (0.42) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL31662979 0.70 ALDH1A1 (0.56) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL31662981 0.70 ALDH1A1 (0.56) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL30230012 0.69 ALDH1A1 (0.50) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL1687074 0.69
SCHEMBL30679092 0.68 SMN1; SMN2 (0.54) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL30376732 0.67 ALDH1A1 (0.40) ALDH1A1POLBSMN1; SMN2MEN1KMT2A

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