SCHEMBL31461673

SCHEMBL31461673

Nc1ncccc1-c1cc(CNC(=O)c2ccccc2OC(F)(F)F)n[nH]1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.41
BTK Q06187 1/20 0.41
RORC P51449 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
ADORA2A P29274 3/20 0.40
ADORA1 P30542 3/20 0.40
SLC6A9 P48067 1/20 0.40
OPRM1 P35372 1/20 0.39
EPHX2 P34913 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HSD17B13 Q7Z5P4 2/20 0.39
HCN1 O60741 1/20 0.38
KCNK3 O14649 1/20 0.38
KCNK9 Q9NPC2 1/20 0.38
SORT1 Q99523 1/20 0.38

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
SCHEMBL23623349 0.90 HSD17B13 (0.41) RORCLMNAHTTSLC6A9OPRM1
SCHEMBL26601319 0.88 OPRM1 (0.41) EGFRBTKRORCOPRM1KDM4E
SCHEMBL23623576 0.87 KCNK3 (0.43) LMNAHTTSLC6A9EPHX2KDM4E
SCHEMBL23623344 0.85 OPRM1 (0.42) RORCOPRM1EPHX2HSD17B13HCN1
SCHEMBL26601342 0.85 AKR1B1 (0.46) RORCLMNAHTTOPRM1HCN1
SCHEMBL23623811 0.84 KCNK3 (0.50) LMNAKDM4EALDH1A1HCN1KCNK3
SCHEMBL31461705 0.83 RXFP1 (0.42) RORCOPRM1KDM4EALDH1A1HSD17B13
SCHEMBL23623292 0.83 KCNK3 (0.41) RORCOPRM1EPHX2HSD17B13HCN1
SCHEMBL23623486 0.82 HCN1 (0.41) RORCOPRM1HSD17B13HCN1KCNK3
SCHEMBL23623810 0.82 HCN1 (0.41) RORCOPRM1EPHX2HSD17B13HCN1

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