SCHEMBL26442736

SCHEMBL26442736

COCc1ccncc1C

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 4/20 0.46
CYP11B1 P15538 3/20 0.46
LMNA P02545 1/20 0.39
TRPA1 O75762 1/20 0.38
ALDH1A1 P00352 3/20 0.38
GPR119 Q8TDV5 2/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
AOC1 P19801 5/20 0.36
AOC3 Q16853 5/20 0.36
KDM4E B2RXH2 3/20 0.36
LOXL2 Q9Y4K0 1/20 0.35
NPC1 O15118 1/20 0.34
ALOX12 P18054 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CYP17A1 P05093 1/20 0.34

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
SCHEMBL13838557 0.83 CYP11B1 (0.43) CYP11B2CYP11B1LMNATRPA1HTT
SCHEMBL23480267 0.83 CYP11B2 (0.49) CYP11B2CYP11B1LMNAAOC1AOC3
SCHEMBL8357660 0.78 AOC1 (0.59) CYP11B2CYP11B1LMNAALDH1A1MAPT
SCHEMBL526319 0.78 CYP11B2 (0.45) CYP11B2CYP11B1LMNAALDH1A1AOC1
SCHEMBL7275273 0.77 SRC (0.38) ALDH1A1GPR119POLBMAPTAOC1
SCHEMBL7275268 0.77 GPR119 (0.38) ALDH1A1GPR119POLBMAPTAOC1
SCHEMBL10679852 0.76 GPR119 (0.42) ALDH1A1GPR119POLBMAPTKDM4E
SCHEMBL19308704 0.76 ALDH1A1 (0.37) CYP11B2CYP11B1LMNAALDH1A1GPR119
SCHEMBL214076 0.76
SCHEMBL20519199 0.75 CYP11B2 (0.43) CYP11B2CYP11B1LMNAALDH1A1MAPT

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
WO-2024105364-A1 HETEROCYCLIC INHIBITORS OF CDC-LIKE KINASES CURADEV PHARMA LTD (GB) 2024-05-23 WO disclosed
WO-2023067322-A1 TRICYCLIC GPR65 MODULATORS Pathios Therapeutics Limited (GB) 2023-04-27 WO disclosed