SCHEMBL31632829

SCHEMBL31632829

O=c1[nH]ncc2c1cnn2-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
HSD17B10 Q99714 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
PARP1 P09874 1/20 0.46
PRKCI P41743 1/20 0.46
PDE4B Q07343 1/20 0.46
RAB9A P51151 5/20 0.46
GSK3B P49841 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
KDM4E B2RXH2 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
CA9 Q16790 1/20 0.43
TSHR P16473 2/20 0.42
TP53 P04637 1/20 0.42
PDE5A O76074 1/20 0.42
HPGD P15428 1/20 0.42
MAPT P10636 4/20 0.41
HTT P42858 3/20 0.41

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
SCHEMBL23122092 0.75 HSD17B10 (0.55) ALDH1A1HSD17B10TDP1PARP1PRKCI
SCHEMBL16728898 0.74 RAB9A (0.52) ALDH1A1RAB9AL3MBTL1KDM4ECYP1A2
SCHEMBL22042885 0.74 ALDH1A1 (0.51) ALDH1A1HSD17B10RAB9AGSK3BL3MBTL1
SCHEMBL10429315 0.73 ALDH1A1 (0.50) ALDH1A1HSD17B10RAB9AL3MBTL1KDM4E
SCHEMBL13787655 0.70 ALDH1A1 (0.43) ALDH1A1HSD17B10TDP1PARP1PRKCI
SCHEMBL23122788 0.69 RAB9A (0.50) ALDH1A1RAB9AL3MBTL1KDM4ECA9
SCHEMBL7480357 0.68 ALDH1A1 (0.45) ALDH1A1HSD17B10TDP1PARP1PRKCI
SCHEMBL2644551 0.68 RAB9A (0.49) ALDH1A1HSD17B10RAB9AL3MBTL1CA9
SCHEMBL6035072 0.68 RAB9A (0.49) ALDH1A1HSD17B10RAB9AL3MBTL1CA9
SCHEMBL23121848 0.67 ALDH1A1 (0.37) ALDH1A1HSD17B10TDP1PARP1PRKCI

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-2025129167-A1 INHIBITORS OF THE SURFACE EXPRESSION OF THE VOLTAGE-GATED SODIUM ION CHANNEL 1.7 (NAV1.7) AND THEIR THERAPEUTIC USES THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES (US) 2025-06-19 WO disclosed