SCHEMBL6264209

SCHEMBL6264209

COc1c(-c2nc(C(N)=O)cs2)cc(C(N)=O)cc1-c1sc(C2CCN(C(=O)N3CCN(c4ccccn4)CC3)CC2)nc1C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
BACE1 P56817 1/20 0.36
ALDH1A1 P00352 8/20 0.36
KDM4E B2RXH2 8/20 0.36
HSD17B10 Q99714 6/20 0.36
HPGD P15428 3/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP1A2 P05177 1/20 0.36
UBE2M P61081 1/20 0.36
DCUN1D1 Q96GG9 1/20 0.36
TSHR P16473 1/20 0.35
LMNA P02545 2/20 0.35
ALOX15 P16050 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL5231104 0.84 ALDH1A1 (0.45) CDK5CDK5R1MEN1KMT2AALDH1A1
SCHEMBL5262638 0.81 ALDH1A1 (0.41) CDK5CDK5R1MEN1KMT2AALDH1A1
SCHEMBL5227563 0.72 MAPT (0.47) CDK5CDK5R1MEN1KMT2AALDH1A1
SCHEMBL5262635 0.72 MAPT (0.47) CDK5CDK5R1MEN1KMT2AALDH1A1
SCHEMBL6252684 0.70 ALDH1A1 (0.53) ALDH1A1KDM4EHSD17B10HPGDCYP2C9
SCHEMBL5226363 0.69 KDM4E (0.51) MEN1KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL6264205 0.67 ALDH1A1 (0.40) CDK5CDK5R1MEN1KMT2AALDH1A1
SCHEMBL27580597 0.62 ALDH1A1 (0.82) MEN1KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL30936088 0.61 ALDH1A1 (0.58) CDK5CDK5R1ALDH1A1KDM4EHSD17B10
SCHEMBL5231099 0.60 MEN1 (0.44) CDK5CDK5R1MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1581528-A1 PIPERIDINYL-THIAZOLE CARBOXYLIC ACID DERIVATIVES AS ANGIOGENESIS INHIBITORS Metris Therapeutics Limited (GB) 2005-10-05 EP disclosed
WO-2004058751-A1 PIPERIDINYL-THIAZOLE CARBOXAMIDE DERIVATIVES FOR ALTERING VASCULAR TONE METRIS THERAPEUTICS LIMITED (GB) 2004-07-15 WO disclosed
WO-2004058750-A1 PIPERIDINYL-THIAZOLE CARBOXYLIC ACID DERIVATIVES AS ANGIOGENESIS INHIBITORS METRIS THERAPEUTICS LIMITED (GB) 2004-07-15 WO disclosed