SCHEMBL31143361

SCHEMBL31143361

c1nc2cc(-c3ccc4[nH]cnc4c3)ccc2[nH]1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 2/20 0.50
APEX1 P27695 1/20 0.50
RECQL P46063 1/20 0.50
BLM P54132 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
QPCT Q16769 6/20 0.49
QPCTL Q9NXS2 4/20 0.49
PRKCI P41743 2/20 0.47
RAD52 P43351 1/20 0.45
MMP12 P39900 1/20 0.42
CYP3A4 P08684 1/20 0.41
NAMPT P43490 1/20 0.41
XDH P47989 1/20 0.41
BRD4 O60885 1/20 0.41
CREBBP Q92793 1/20 0.41
ACVR1 Q04771 1/20 0.41
NPC1 O15118 1/20 0.40
TP53 P04637 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
SCHEMBL6008269 1.00 MAPT (0.50) MAPTKDM4EALDH1A1APEX1RECQL
SCHEMBL2474515 0.92 QPCT (0.60) MAPTKDM4EALDH1A1APEX1RECQL
SCHEMBL2457365 0.90 QPCT (0.50) MAPTKDM4EALDH1A1APEX1RECQL
SCHEMBL13373351 0.88 ALDH1A1 (0.46) MAPTKDM4EALDH1A1APEX1RECQL
SCHEMBL13373486 0.88 PARP1 (0.46) MAPTKDM4EALDH1A1APEX1RECQL
SCHEMBL28178019 0.88 PSMD11 (0.49) MAPTKDM4EALDH1A1APEX1RECQL
SCHEMBL7021134 0.88 QPCT (0.49) MAPTKDM4EALDH1A1APEX1RECQL
SCHEMBL28178021 0.88 PARP1 (0.46) MAPTKDM4EALDH1A1APEX1RECQL
SCHEMBL25912038 0.88 PARP1 (0.46) MAPTKDM4EALDH1A1APEX1RECQL
SCHEMBL23123086 0.87 QPCT (0.51) MAPTKDM4EALDH1A1APEX1RECQL

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
US-12102624-B2 Pantoprazole compositions and methods Nivagen Pharmaceuticals, Inc. (US) 2024-10-01 US disclosed