SCHEMBL23320439

SCHEMBL23320439

CC1(C(=O)Nc2ccc([N+](=O)[O-])cc2O)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 3/20 0.59
NR3C1 P04150 1/20 0.59
CXCR1 P25024 2/20 0.56
CXCR2 P25025 2/20 0.56
KMT2A Q03164 5/20 0.54
MEN1 O00255 4/20 0.54
MAPT P10636 4/20 0.54
LMNA P02545 2/20 0.54
HPGD P15428 2/20 0.54
HTT P42858 2/20 0.54
ATM Q13315 2/20 0.54
NPSR1 Q6W5P4 2/20 0.54
RAB9A P51151 2/20 0.54
RECQL P46063 1/20 0.54
TDP1 Q9NUW8 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
HTR1E P28566 1/20 0.51
PAX8 Q06710 1/20 0.51
NPC1 O15118 1/20 0.46
GAA P10253 1/20 0.46

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
SCHEMBL30949589 0.82 GAA (0.51) KCNMA1NR3C1CXCR1CXCR2KMT2A
SCHEMBL30949580 0.82 GAA (0.51) KCNMA1NR3C1CXCR1CXCR2KMT2A
SCHEMBL31171007 0.80 CXCR1 (0.62) KCNMA1NR3C1CXCR1CXCR2KMT2A
SCHEMBL2131627 0.80 CXCR1 (0.62) KCNMA1NR3C1CXCR1CXCR2KMT2A
SCHEMBL5595104 0.80 CXCR1 (0.80) KCNMA1CXCR1CXCR2KMT2AMEN1
SCHEMBL17085327 0.78 HTT (0.71) KCNMA1NR3C1CXCR1CXCR2KMT2A
SCHEMBL5987164 0.77 CXCR1 (0.67) KCNMA1NR3C1CXCR1CXCR2KMT2A
SCHEMBL29968760 0.77 CXCR1 (0.67) KCNMA1NR3C1CXCR1CXCR2KMT2A
SCHEMBL7859370 0.77 CXCR1 (0.63) KCNMA1NR3C1CXCR1CXCR2KMT2A
SCHEMBL11358347 0.77 CXCR1 (0.58) KCNMA1NR3C1CXCR1CXCR2KMT2A

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
CN-112654608-B Fused ring compound having urea structure 桑福德伯纳姆普利斯医学发现研究所 2024-05-07 CN disclosed
EP-3818053-A1 FUSED RING COMPOUND HAVING UREA STRUCTURE Sanford Burnham Prebys Medical Discovery Institute (US) 2021-05-12 EP disclosed