SCHEMBL25719682

SCHEMBL25719682

Cn1nc(-c2cccc(I)c2)cc1O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.42
CYP11B1 P15538 1/20 0.36
HSD11B1 P28845 1/20 0.36
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
USP30 Q70CQ3 2/20 0.34
HSD17B2 P37059 2/20 0.34
APP P05067 1/20 0.34
BRD4 O60885 1/20 0.34
MAPT P10636 3/20 0.33
HSD17B1 P14061 1/20 0.33
PHGDH O43175 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33
ESRRA P11474 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
SCHEMBL23402778 0.81 NPC1 (0.49) METAP2MAPTPOLBRAB9AESRRA
SCHEMBL16667664 0.80 CYP11B1 (0.50) CYP11B1HSD11B1MAPTPHGDHPOLB
SCHEMBL16664764 0.80 IDO1 (0.44) MAPTRAB9A
SCHEMBL17295620 0.80 IDO1 (0.44) MAPTRAB9A
SCHEMBL25645955 0.80 ESR2 (0.44) MAPTRAB9A
SCHEMBL8843320 0.78 PHGDH (0.47) PHGDH
SCHEMBL25646028 0.78 IDO1 (0.48) CYP11B1HSD11B1BRD4POLB
SCHEMBL17295149 0.78 IDO1 (0.44) CYP11B1HSD11B1USP30HSD17B2MAPT
SCHEMBL17290741 0.78 IDO1 (0.44) CYP11B1HSD11B1USP30HSD17B2MAPT
SCHEMBL17290745 0.76 KDM4E (0.49)

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-2023107592-A1 PYRIDOPYRIMIDINES AND METHODS OF THEIR USE Kineta, Inc. (US) 2023-06-15 WO disclosed