SCHEMBL9296576

SCHEMBL9296576

Nc1c(F)ccc(C(O)CCC(=O)O)c1N

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.35
CES1 P23141 3/20 0.35
TET2 Q6N021 3/20 0.33
KDM4A O75164 2/20 0.33
KDM4C Q9H3R0 2/20 0.33
KDM2A Q9Y2K7 2/20 0.33
TET3 O43151 1/20 0.33
CPA3 P15088 1/20 0.33
CYP1A2 P05177 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
GABRP O00591 2/20 0.32
GABRD O14764 2/20 0.32
GABRA1 P14867 2/20 0.32
GABRB1 P18505 2/20 0.32
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
GABRA5 P31644 2/20 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
SCHEMBL11495829 0.75 CES2 (0.46) CES2CES1CPA3CYP1A2ALDH1A1
SCHEMBL28033030 0.73 ADRA2A (0.39) TET2KDM4AKDM4CKDM2ATET3
SCHEMBL7438770 0.72 FFAR1 (0.42) ALDH1A1
SCHEMBL14617609 0.67 ALDH1A1 (0.46) TET2KDM4AKDM4CKDM2ATET3
SCHEMBL21358345 0.67 FOLH1 (0.46)
SCHEMBL641514 0.67 FOLH1 (0.46)
SCHEMBL639829 0.67 AKR1C3 (0.40)
SCHEMBL639301 0.67 AKR1C3 (0.40)
SCHEMBL16797611 0.66 TSHR (0.44) TET2KDM4AKDM4CKDM2ACPA3
SCHEMBL11759144 0.66 ANPEP (0.42) CES2CES1ANPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0581907-A4 1994-04-06 EP claimed
EP-0581907-A1 INHIBITORS OF KYNURENINASE THE UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 1994-02-09 EP claimed
WO-1992018003-A1 INHIBITORS OF KYNURENINASE UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 1992-10-29 WO claimed