SCHEMBL31461680

SCHEMBL31461680

CC(=O)Nc1ccccc1-c1nc(CNC(=O)c2ccccc2OC(F)(F)F)n[nH]1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41
RIPK1 Q13546 6/20 0.40
KCNK3 O14649 4/20 0.39
KCNK9 Q9NPC2 4/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
F2R P25116 1/20 0.39
OPRM1 P35372 1/20 0.38
HCN1 O60741 1/20 0.38
HSD17B13 Q7Z5P4 1/20 0.38
BRD4 O60885 1/20 0.36
CREBBP Q92793 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
CLK1 P49759 1/20 0.36

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
SCHEMBL23623280 0.87 ALOX15 (0.47) ALOX15HSD17B10KCNK3KCNK9POLB
SCHEMBL23623443 0.85 HPGD (0.45) HSD17B10KCNK3KCNK9KDM4EPOLB
SCHEMBL31461708 0.85 OPRM1 (0.41) RXFP1KCNK3KCNK9KDM4EF2R
SCHEMBL31461685 0.81 SMN1; SMN2 (0.41) KCNK3KCNK9KDM4EOPRM1HCN1
SCHEMBL23611716 0.81 KCNK3 (0.45) ALOX15HSD17B10KCNK3KCNK9POLB
SCHEMBL29930594 0.81 KCNK3 (0.45) ALOX15HSD17B10KCNK3KCNK9POLB
SCHEMBL23623256 0.80 OPRM1 (0.39) RXFP1KCNK3KCNK9L3MBTL1F2R
SCHEMBL31461662 0.80 RIPK1 (0.44) RXFP1RIPK1KCNK3KCNK9F2R
SCHEMBL23623581 0.80 POLB (0.47) ALOX15HSD17B10KCNK3KCNK9POLB
SCHEMBL23623264 0.79 ALOX15 (0.44) ALOX15HSD17B10KCNK3KCNK9ADORA2A

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-2025024543-A1 TRICYCLIC UBE2K MODULATORS AND METHODS FOR THEIR USE BPGBIO, INC. (US) 2025-01-30 WO disclosed