SCHEMBL6065131

SCHEMBL6065131

Cc1n[nH]c(NC(c2ccccc2)(c2ccccc2)c2ccccc2)c1NC(=O)CC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP2C19 P33261 1/20 0.38
RET P07949 1/20 0.38
KDR P35968 1/20 0.38
GAA P10253 2/20 0.35
ADORA3 P0DMS8 5/20 0.34
ADORA2A P29274 5/20 0.34
ALDH1A1 P00352 2/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ADORA1 P30542 2/20 0.33
RIPK1 Q13546 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
RAB9A P51151 1/20 0.33
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL6065097 0.88 PKM (0.45) LMNAL3MBTL1CYP2C19ADORA3ADORA2A
SCHEMBL6065771 0.86 LMNA (0.35) LMNAL3MBTL1CYP2C19RETKDR
SCHEMBL6066190 0.85 SMN1; SMN2 (0.35) LMNAL3MBTL1CYP2C19RETKDR
SCHEMBL6065740 0.81 F2 (0.41) LMNACYP2C19GAAALDH1A1HTT
SCHEMBL6558343 0.76 NPC1 (0.41) LMNAGAAALDH1A1RAB9AKDM4E
SCHEMBL6065290 0.71 DUT (0.30)
SCHEMBL6557067 0.71 P2RX3 (0.35) LMNAL3MBTL1GAAALDH1A1HTT
SCHEMBL6065016 0.71 KMT2A (0.33) LMNASMN1; SMN2RAB9A
SCHEMBL6557418 0.70 HSD17B10 (0.36) LMNACYP2C19GAAALDH1A1HTT
SCHEMBL6558372 0.69 POLB (0.43) LMNAALDH1A1SMN1; SMN2KDM4EHPGD

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
EP-1663245-A1 CEPHEM COMPOUNDS Astellas Pharma Inc. (JP) 2006-06-07 EP disclosed
WO-2005027909-A1 CEPHEM COMPOUNDS ASTELLAS PHARMA INC. (JP) 2005-03-31 WO disclosed