SCHEMBL6029331

SCHEMBL6029331

COc1ccc(-c2cnc(SCC(=O)NC(C)(c3ccc4ccccc4c3)C3CCCNC3)nc2)cc1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.40
MAPT P10636 7/20 0.39
CHEK1 O14757 1/20 0.38
MAPKAPK2 P49137 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
TP53 P04637 1/20 0.37
THRB P10828 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36
ALDH1A1 P00352 2/20 0.36
RGS12 O14924 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
POLB P06746 2/20 0.36
ATM Q13315 1/20 0.36
PDPK1 O15530 1/20 0.35
RPS6KB1 P23443 1/20 0.35
RAB9A P51151 1/20 0.35
NPY5R Q15761 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL6169605 0.88 LMNA (0.38) LMNAMAPTSMN1; SMN2HTTPOLB
SCHEMBL6029136 0.84 LMNA (0.47) LMNAMAPTSMN1; SMN2TP53ALDH1A1
SCHEMBL6169175 0.83 LMNA (0.46) LMNAMAPTSMN1; SMN2TP53POLB
SCHEMBL6029444 0.80 L3MBTL1 (0.43) LMNAMAPTSMN1; SMN2TP53ALDH1A1
SCHEMBL6028834 0.78 LMNA (0.42) LMNAMAPTCHEK1MAPKAPK2SMN1; SMN2
SCHEMBL6029113 0.78 KMT2A (0.39) LMNAMAPTSMN1; SMN2TP53ALDH1A1
SCHEMBL6029398 0.76 STK17B (0.36) LMNASMN1; SMN2HPGDHTT
SCHEMBL6030286 0.76 LMNA (0.45) LMNAMAPTTHRBALDH1A1HPGD
SCHEMBL6029140 0.75 KIT (0.40) LMNAMAPTTHRBALDH1A1HPGD
SCHEMBL6028819 0.75 KIT (0.39) MAPTTHRBALDH1A1HPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1521582-A1 2,5-SUBSTITUTED PYRIMIDINE DERIVATIVES AS CCR-3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-04-13 EP claimed
WO-2004004731-A1 2, 5-SUBSTITUTED PYRIMIDINE DERIVATIVES AS CCR-3 RECEPTOR ANTAGONISTS IX F. HOFFMANN-LA ROCHE AG (CH) 2004-01-15 WO claimed
US-6984643-B2 2,5-substituted pyrimidine derivatives-CCR-3 receptor antagonists ROCHE PALO ALTO LLC (US) 2006-01-10 US disclosed
EP-1521582-A1 2,5-SUBSTITUTED PYRIMIDINE DERIVATIVES AS CCR-3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-04-13 EP disclosed
WO-2004004731-A1 2, 5-SUBSTITUTED PYRIMIDINE DERIVATIVES AS CCR-3 RECEPTOR ANTAGONISTS IX F. HOFFMANN-LA ROCHE AG (CH) 2004-01-15 WO disclosed