SCHEMBL13620442

SCHEMBL13620442

Cc1c(C(=O)O)sc2nc(Cc3ccc(F)c(C(F)F)c3)[nH]c(=O)c12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.53
ALDH1A1 P00352 10/20 0.52
KMT2A Q03164 8/20 0.52
KDM4E B2RXH2 2/20 0.52
TDP1 Q9NUW8 7/20 0.49
MEN1 O00255 5/20 0.49
L3MBTL1 Q9Y468 4/20 0.49
POLB P06746 6/20 0.48
USP2 O75604 1/20 0.48
THRB P10828 1/20 0.48
APOBEC3A P31941 1/20 0.48
APOBEC3G Q9HC16 1/20 0.48
PLEC Q15149 1/20 0.47
GAA P10253 1/20 0.47
KDM4C Q9H3R0 1/20 0.47
HTT P42858 1/20 0.46
HPGD P15428 1/20 0.46
APEX1 P27695 1/20 0.46
RECQL P46063 1/20 0.46
MCL1 Q07820 1/20 0.46

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
SCHEMBL3492123 0.89 MAPT (0.57) MAPTALDH1A1KMT2AKDM4ETDP1
SCHEMBL14650893 0.89 MAPT (0.58) MAPTALDH1A1KMT2AKDM4ETDP1
SCHEMBL3494524 0.87 POLB (0.54) MAPTALDH1A1KMT2AKDM4ETDP1
SCHEMBL3492313 0.85 POLB (0.53) MAPTALDH1A1KMT2AKDM4ETDP1
SCHEMBL3492746 0.84 POLB (0.54) MAPTALDH1A1KMT2AKDM4ETDP1
SCHEMBL3490711 0.84 ALDH1A1 (0.62) MAPTALDH1A1KMT2AKDM4ETDP1
SCHEMBL3493088 0.82 POLB (0.64) MAPTALDH1A1KMT2AKDM4ETDP1
SCHEMBL3494852 0.82 KMT2A (0.61) MAPTALDH1A1KMT2AKDM4ETDP1
SCHEMBL3490694 0.81 MAPT (0.65) MAPTALDH1A1KMT2AKDM4ETDP1
SCHEMBL3493549 0.81 ALDH1A1 (0.55) MAPTALDH1A1KMT2AKDM4ETDP1

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-2123301-A1 THERAPEUTIC AGENT FOR URINARY TRACT DISEASE ASKA Pharmaceutical Co., Ltd. (JP) 2009-11-25 EP disclosed