SCHEMBL30782844

SCHEMBL30782844

CNC[C@@H]1CCOc2c(-c3ccnc(C(F)(F)F)c3)cccc21

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 13/20 0.38
NOTUM Q6P988 1/20 0.36
PARP15 Q460N3 1/20 0.34
PARP14 Q460N5 1/20 0.34
PARP10 Q53GL7 1/20 0.34
TIPARP Q7Z3E1 1/20 0.34
PARP16 Q8N5Y8 1/20 0.34
PARP11 Q9NR21 1/20 0.34
TLR9 Q9NR96 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
HTR1A P08908 1/20 0.34
KDM6B O15054 3/20 0.33
P2RX7 Q99572 1/20 0.32
RPS6KB1 P23443 1/20 0.32

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
SCHEMBL30782873 1.00 KDM4C (0.38) KDM4CNOTUMPARP15PARP14PARP10
SCHEMBL30782834 1.00 KDM4C (0.38) KDM4CNOTUMPARP15PARP14PARP10
SCHEMBL30782851 0.86 NOTUM (0.38) KDM4CNOTUMPARP15PARP14PARP10
SCHEMBL30782907 0.86 NOTUM (0.38) KDM4CNOTUMPARP15PARP14PARP10
SCHEMBL27231290 0.86 KDM4C (0.42) KDM4CKDM6BP2RX7
SCHEMBL27214634 0.86 KDM4C (0.42) KDM4CKDM6BP2RX7
Hydrochloric Acid SCHEMBL27214593 0.85 LOXL2 (0.38) KDM4CNOTUMPARP15PARP14PARP10
Hydrochloric Acid SCHEMBL29923508 0.85 LOXL2 (0.38) KDM4CNOTUMPARP15PARP14PARP10
SCHEMBL27214580 0.85 KDM4C (0.37) KDM4CHTR1AKDM6BP2RX7
SCHEMBL27230891 0.85 KDM4C (0.37) KDM4CHTR1AKDM6BP2RX7

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
EP-4593954-A1 COMPOUNDS FOR THE TREATMENT OF A CENTRAL NERVOUS SYSTEM DISEASE OR DISORDER PGI Drug Discovery LLC (US) 2025-08-06 EP disclosed
WO-2024073383-A1 COMPOUNDS FOR THE TREATMENT OF A CENTRAL NERVOUS SYSTEM DISEASE OR DISORDER PGI DRUG DISCOVERY LLC (US) 2024-04-04 WO disclosed