SCHEMBL31468348

SCHEMBL31468348

O=c1cc(-c2ccccc2)[nH]c2cc(-c3ccccc3)nn12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 7/20 0.58
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 2/20 0.50
HSD17B10 Q99714 2/20 0.50
ERCC1 P07992 1/20 0.49
FEN1 P39748 1/20 0.49
ERCC4 Q92889 1/20 0.49
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
TP53 P04637 3/20 0.44
MAPT P10636 2/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
PKM P14618 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CDC7 O00311 2/20 0.44
ABL1 P00519 1/20 0.42
LCK P06239 1/20 0.42
FYN P06241 1/20 0.42

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
SCHEMBL31468374 0.89 PARP1 (0.49) PARP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL3299464 0.84 NPC1 (0.61) PARP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL31468434 0.84 MEN1 (0.49) PARP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL16770357 0.83 KDM4E (0.55) PARP1KDM4EALDH1A1HSD17B10RAB9A
SCHEMBL13297993 0.83 PARP1 (0.49) PARP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL15191719 0.83 PARP1 (0.57) PARP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4707821 0.82 ERCC1 (0.48) PARP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL12290398 0.79 PARP1 (0.53) PARP1KDM4EALDH1A1HPGDNPC1
SCHEMBL12953145 0.79 ERCC1 (0.50) PARP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL31468352 0.77 KDM5A (0.43) PARP1MAPTCDC7MAPK14

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-2025064210-A1 INHIBITORS OF BILIVERDIN REDUCTASE B (BLVRB) BLOOD CELL TECHNOLOGIES, LLC (US) 2025-03-27 WO disclosed