SCHEMBL6489166

SCHEMBL6489166

Cc1cc(C2CC2)nc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.59
CYP1A2 P05177 3/20 0.56
BACE1 P56817 1/20 0.53
KDM4E B2RXH2 6/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
LMNA P02545 1/20 0.51
ALDH1A1 P00352 5/20 0.49
HPGD P15428 3/20 0.49
HTT P42858 1/20 0.49
GAA P10253 4/20 0.49
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
ACHE P22303 1/20 0.47
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
NUDT1 P36639 1/20 0.46
HSD17B10 Q99714 1/20 0.46
GPR3 P46089 1/20 0.46
ADRB1 P08588 1/20 0.45

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
SCHEMBL25523588 0.95 CYP1A2 (0.55) POLBCYP1A2BACE1KDM4ESMN1; SMN2
SCHEMBL25523590 0.93 KDM4E (0.56) POLBCYP1A2BACE1KDM4ESMN1; SMN2
SCHEMBL31289581 0.92 KDM4E (0.58) POLBCYP1A2BACE1KDM4ESMN1; SMN2
SCHEMBL30524343 0.92 KDM4E (0.58) POLBCYP1A2BACE1KDM4ESMN1; SMN2
SCHEMBL12527449 0.92 KDM4E (0.58) POLBCYP1A2BACE1KDM4ESMN1; SMN2
SCHEMBL31289580 0.92 KDM4E (0.58) POLBCYP1A2BACE1KDM4ESMN1; SMN2
SCHEMBL3388558 0.89 CYP1A2 (0.56) POLBCYP1A2BACE1KDM4ESMN1; SMN2
SCHEMBL29559196 0.89 KDM4E (0.54) POLBCYP1A2BACE1KDM4ESMN1; SMN2
SCHEMBL25523741 0.89 KDM4E (0.54) POLBCYP1A2BACE1KDM4ESMN1; SMN2
SCHEMBL30511679 0.86 POLB (0.47) POLBCYP1A2BACE1KDM4ESMN1; SMN2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4011877-A2 METHOD OF TREATING ELEVATED PLASMA CHOLESTEROL Institut de Cardiologie de Montréal (CA) 2022-06-15 EP disclosed
US-8778874-B2 Glycopeptide antibiotic monomer derivatives NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2014-07-15 US disclosed
US-6962938-B2 Spiro-cyclic β-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-α converting enzyme (TACE) BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-11-08 US disclosed
US-6720329-B2 ANTIINFLAMMATORY AGENTS BRISTOL-MYERS SQUIBB PHARMA 2004-04-13 US disclosed
EP-1373199-A4 SPIRO-CYCLIC BETA-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND TNF-ALPHA CONVERTING ENZYME (TAGE) BRISTOL MYERS SQUIBB PHARMA CO (US) 2004-04-07 EP disclosed
EP-1373199-A2 SPIRO-CYCLIC BETA-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND TNF-ALPHA CONVERTING ENZYME (TAGE) Bristol-Myers Squibb Pharma Company (US) 2004-01-02 EP disclosed
WO-2002074738-A2 SPIRO-CYCLIC BETA-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND TNF-ALPHA CONVERTING ENZYME (TAGE) BRISTOL-MYERS SQUIBB COMPANY (US) 2002-09-26 WO disclosed