SCHEMBL9150339

SCHEMBL9150339

CN[C@H]1CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C(C)(C)C)[C@@H]1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
CYP2C9 P11712 3/20 0.42
ATP6V1B2 P21281 1/20 0.42
TBXA2R P21731 1/20 0.42
EDNRA P25101 1/20 0.42
TARBP2 Q15633 1/20 0.42
KDM4E B2RXH2 2/20 0.42
HSD17B10 Q99714 2/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42
XBP1 P17861 1/20 0.42
NFKB1 P19838 1/20 0.42
HTT P42858 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
EPHA2 P29317 1/20 0.41
FLT4 P35916 1/20 0.41
GSK3B P49841 1/20 0.41
RARB P10826 1/20 0.41

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
SCHEMBL9150354 1.00 LMNA (0.42) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9150345 1.00 LMNA (0.42) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9144124 0.87 DPP4 (0.47) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9144116 0.87 DPP4 (0.47) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9145367 0.81 TOP1 (0.44) LMNACYP2C9KDM4EHSD17B10ALDH1A1
SCHEMBL9145357 0.81 TOP1 (0.44) LMNACYP2C9KDM4EHSD17B10ALDH1A1
SCHEMBL9145380 0.81 TOP1 (0.44) LMNACYP2C9KDM4EHSD17B10ALDH1A1
SCHEMBL10391018 0.79 EPHA2 (0.43) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9685524 0.79 DPP4 (0.45) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL10073771 0.79 LMNA (0.44) LMNACYP2C9ATP6V1B2TBXA2REDNRA

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-5393758-A Bactericides, microbiocides LABORATORIOS DEL DR. ESTEVE S.A. (ES) 1995-02-28 US disclosed