SCHEMBL31458636

SCHEMBL31458636

COc1ccc(Cn2ncc(I)c2CC(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 12/20 0.50
MCHR1 Q99705 1/20 0.46
ALDH1A1 P00352 3/20 0.41
MAPT P10636 3/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
FAAH O00519 1/20 0.40
MGLL Q99685 1/20 0.40
SLC6A4 P31645 1/20 0.40
PKM P14618 1/20 0.39
PKLR P30613 1/20 0.39
ALOX15 P16050 2/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ALOX5AP P20292 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL22251591 0.80 NPBWR1 (0.46) NPBWR1MCHR1ALDH1A1MAPTLMNA
SCHEMBL2511096 0.80 NPBWR1 (0.46) NPBWR1MCHR1LMNAFAAHMGLL
SCHEMBL2507759 0.80 NPBWR1 (0.46) NPBWR1MCHR1ALDH1A1PKMALOX15
SCHEMBL20138946 0.79 NPBWR1 (0.56) NPBWR1MCHR1ALDH1A1MAPTLMNA
SCHEMBL2508842 0.77 NPBWR1 (0.44) NPBWR1MCHR1FAAHMGLLPKM
SCHEMBL2508856 0.76 NPC1 (0.54) NPBWR1MCHR1ALDH1A1MAPTLMNA
SCHEMBL5732108 0.73 NPBWR1 (0.47) NPBWR1MCHR1ALDH1A1MAPTSMN1; SMN2
SCHEMBL370907 0.73 NPBWR1 (0.50) NPBWR1MCHR1ALDH1A1ALOX15
SCHEMBL18096396 0.73 NPBWR1 (0.52) NPBWR1MCHR1ALDH1A1MAPTLMNA
SCHEMBL31140676 0.73 NPBWR1 (0.56) NPBWR1MCHR1ALDH1A1MAPTLMNA

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-2025096061-A1 CDK2 INHIBITORS AND USES THEREOF ODYSSEY THERAPEUTICS, INC. (US) 2025-05-08 WO disclosed