SCHEMBL27353248

SCHEMBL27353248

c1ccc2c(c1)CNc1ccccc1C1=C2CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
JAK2 O60674 1/20 0.39
TSHR P16473 1/20 0.37
CYP2A6 P11509 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
HTR5A P47898 2/20 0.35
PDPK1 O15530 1/20 0.34
PARP1 P09874 1/20 0.34
PARP10 Q53GL7 1/20 0.34
PARP11 Q9NR21 1/20 0.34
HSD17B3 P37058 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL27409781 1.00 CA12 (0.44) CA12CA9ALOX15HSD17B10GAA
SCHEMBL24455245 1.00 CA12 (0.44) CA12CA9ALOX15HSD17B10GAA
SCHEMBL27406950 1.00 CA12 (0.44) CA12CA9ALOX15HSD17B10GAA
SCHEMBL21602736 0.83 ALOX15 (0.53) CA12CA9ALOX15HSD17B10GAA
Dihydrophenanthridine SCHEMBL29791568 0.78 CA12 (0.56) CA12CA9ALOX15HSD17B10GAA
Dihydrophenanthridine SCHEMBL2087461 0.78 CA12 (0.56) CA12CA9ALOX15HSD17B10GAA
SCHEMBL27425414 0.77 CA12 (0.54) CA12CA9ALOX15HSD17B10GAA
SCHEMBL11774761 0.74 LRRK2 (0.46) ALOX15GAATSHRMAOAMAOB
SCHEMBL17901678 0.74 ALOX15 (0.47) CA12CA9ALOX15HSD17B10GAA
SCHEMBL30118299 0.74 NOS2 (0.43) CA12CA9ALOX15HSD17B10GAA

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-2024133815-A1 ANTIBODY-DRUG CONJUGATES WITH MASKED PBD DIMERS SYNAFFIX B.V. (NL) 2024-06-27 WO disclosed