SCHEMBL6966588

SCHEMBL6966588

Cc1nc(Nc2ccc(F)cc2)nc(N2CCc3ccc(OC(=O)C(CCC(N)=O)NC(=O)OC(C)(C)C)cc3C2C)c1C

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 4/20 0.33
SUV39H2 Q9H5I1 2/20 0.32
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
NPC1 O15118 1/20 0.31
PLIN1 O60240 1/20 0.31
RAB9A P51151 1/20 0.31
PLIN5 Q00G26 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ABHD5 Q8WTS1 1/20 0.31
METAP2 P50579 1/20 0.31
PABPC1 P11940 1/20 0.30
NPR3 P17342 1/20 0.30

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
SCHEMBL6966590 1.00 SCN9A (0.33) SCN9ASUV39H2KDM4EALDH1A1MAPT
SCHEMBL6967088 0.95 SCN9A (0.34) SCN9ASUV39H2KDM4EALDH1A1MAPT
SCHEMBL6967090 0.95 SCN9A (0.34) SCN9ASUV39H2KDM4EALDH1A1MAPT
SCHEMBL6961693 0.94 SCN9A (0.38) SCN9AKDM4EALDH1A1MAPTGLA
SCHEMBL6961689 0.94 SCN9A (0.38) SCN9AKDM4EALDH1A1MAPTGLA
SCHEMBL6958132 0.91 ALDH1A1 (0.40) SCN9AKDM4EALDH1A1MAPTGLA
SCHEMBL6958137 0.91 ALDH1A1 (0.40) SCN9AKDM4EALDH1A1MAPTGLA
SCHEMBL6957720 0.89 SCN9A (0.35) SCN9AKDM4EALDH1A1MAPTGLA
SCHEMBL6967714 0.89 PABPC1 (0.41) SCN9APABPC1NPR3
SCHEMBL6967718 0.89 PABPC1 (0.41) SCN9APABPC1NPR3

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
EP-1015444-B1 PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP LTD (KR) 2003-05-28 EP disclosed