SCHEMBL6028518

SCHEMBL6028518

COc1ccc(-c2cnc(SCC(=O)NC(Cc3ccc(Cl)c(F)c3)C3CCCNC3)nc2)cc1OC

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 3/20 0.39
LMNA P02545 3/20 0.39
POLB P06746 2/20 0.38
ATM Q13315 1/20 0.38
MAPT P10636 4/20 0.38
RAB9A P51151 1/20 0.38
CDK9 P50750 4/20 0.37
CCNT1 O60563 1/20 0.37
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
ALOX15 P16050 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
SCHEMBL6029438 0.94 CHEK1 (0.39) CHEK1LMNAPOLBATMMAPT
SCHEMBL6028227 0.94 LMNA (0.41) LMNAPOLBATMMAPTRAB9A
SCHEMBL6030459 0.94 LMNA (0.41) CHEK1LMNAPOLBATMMAPT
SCHEMBL6028748 0.91 CHEK1 (0.39) CHEK1LMNAPOLBMAPTRAB9A
SCHEMBL6028843 0.91 LMNA (0.38) LMNAPOLBATMMAPTRAB9A
SCHEMBL6029378 0.89 LMNA (0.40) CHEK1LMNAPOLBATMMAPT
SCHEMBL6029156 0.88 LMNA (0.41) LMNAPOLBATMMAPTRAB9A
SCHEMBL6029808 0.88 LMNA (0.41) CHEK1LMNAPOLBATMMAPT
SCHEMBL6029268 0.88 MAPT (0.43) LMNAPOLBATMMAPTRAB9A
SCHEMBL6028919 0.88 CHEK1 (0.39) CHEK1CDK9CCNT1

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
US-6984643-B2 2,5-substituted pyrimidine derivatives-CCR-3 receptor antagonists ROCHE PALO ALTO LLC (US) 2006-01-10 US disclosed