SCHEMBL31030262

SCHEMBL31030262

N#Cc1ncccc1-c1ccccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.48
LMNA P02545 3/20 0.48
CCR1 P32246 2/20 0.48
CCR5 P51681 2/20 0.48
CCR8 P51685 2/20 0.48
METAP1 P53582 2/20 0.48
CYP1A2 P05177 1/20 0.48
POLB P06746 1/20 0.48
BLM P54132 1/20 0.48
HIF1A Q16665 1/20 0.48
DOHH Q9BU89 1/20 0.48
P4HTM Q9NXG6 1/20 0.48
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
TP53 P04637 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
ALOX15 P16050 2/20 0.42
HTT P42858 2/20 0.42
L3MBTL1 Q9Y468 2/20 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
SCHEMBL17251975 1.00 KDM4E (0.48) KDM4ELMNACCR1CCR5CCR8
SCHEMBL7022879 0.81 KDM4E (0.48) KDM4ELMNACCR1CCR5CCR8
SCHEMBL18421766 0.79 CYP11B1 (0.34) BLMTDP1ALOX15GRM5
SCHEMBL17251935 0.79 KDM4E (0.42) KDM4ELMNACCR1CCR5CCR8
SCHEMBL30102603 0.78 GRIA1 (0.51) KDM4ELMNACCR1CCR5CCR8
SCHEMBL31070227 0.78 GRIA1 (0.51) KDM4ELMNACCR1CCR5CCR8
SCHEMBL973015 0.78 GRIA1 (0.51) KDM4ELMNACCR1CCR5CCR8
SCHEMBL12679741 0.78 KDM4E (0.50) KDM4ELMNACCR1CCR5CCR8
SCHEMBL1008743 0.78 ALOX15 (0.44) CYP1A2NPC1RAB9AALOX15HTT
SCHEMBL2474598 0.78 NPC1 (0.43) KDM4ELMNACCR1CCR5CCR8

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024154979-A2 NOVEL HETEROCYCLIC COMPOUNDS 주식회사 이노보테라퓨틱스 2024-07-25 WO claimed
WO-2024154979-A2 NOVEL HETEROCYCLIC COMPOUNDS 주식회사 이노보테라퓨틱스 2024-07-25 WO disclosed