SCHEMBL30444643

SCHEMBL30444643

O=C1c2ccccc2C(=O)N1CC(F)(F)C(F)(F)CO

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 2/20 0.43
POLB P06746 1/20 0.42
TSHR P16473 1/20 0.42
GLS O94925 1/20 0.42
CHRM2 P08172 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAPK1 P28482 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
SCHEMBL30881298 0.84 CA12 (0.47) CA12CA9MEN1KMT2AALDH1A1
SCHEMBL292179 0.84 CA12 (0.47) CA12CA9MEN1KMT2AALDH1A1
SCHEMBL27218070 0.83 CA12 (0.46) CA12CA9MEN1KMT2AALDH1A1
SCHEMBL12643972 0.83 CA12 (0.46) CA12CA9MEN1KMT2AALDH1A1
Alcohol SCHEMBL9054340 0.79 ALDH1A1 (0.45) CA12CA9KMT2AALDH1A1CHRM2
SCHEMBL22939448 0.79 CA12 (0.48) CA12CA9ALDH1A1GLSCHRM2
SCHEMBL30280109 0.77 CA12 (0.44) CA12CA9MEN1KMT2AALDH1A1
SCHEMBL4711840 0.77 CA12 (0.44) CA12CA9MEN1KMT2AALDH1A1
SCHEMBL6150561 0.77 CA12 (0.44) CA12CA9MEN1KMT2AALDH1A1
SCHEMBL3727196 0.76 CHRM2 (0.56) CA12CA9ALDH1A1CHRM2

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-4408847-A1 IMIDAZOPYRIDAZINE IL-17 INHIBITOR COMPOUNDS Janssen Pharmaceutica NV (BE) 2024-08-07 EP disclosed
WO-2023049887-A1 IMIDAZOPYRIDAZINE IL-17 INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2023-03-30 WO disclosed