SCHEMBL21240033

SCHEMBL21240033

CCC[C@H](C)c1ccc2[nH]cnc2c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.36
MAPT P10636 3/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
APEX1 P27695 1/20 0.36
RECQL P46063 1/20 0.36
BLM P54132 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MMP12 P39900 1/20 0.35
PRKCI P41743 1/20 0.34
PDE2A O00408 2/20 0.33
RAD52 P43351 1/20 0.33
QPCT Q16769 5/20 0.33
PDE1A P54750 1/20 0.33
PDE1B Q01064 1/20 0.33
PDE1C Q14123 1/20 0.33

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
SCHEMBL19522879 1.00 HTT (0.36) HTTMAPTKDM4EALDH1A1APEX1
SCHEMBL21025210 0.88 MMP12 (0.45) HTTMAPTKDM4ETDP1MMP12
SCHEMBL18430215 0.87 SCN10A (0.42) HTTMAPTKDM4EALDH1A1APEX1
SCHEMBL5526838 0.80 MAPT (0.42) HTTMAPTKDM4EALDH1A1APEX1
SCHEMBL20032424 0.79 MAPT (0.39) HTTMAPTKDM4EALDH1A1APEX1
SCHEMBL23718965 0.77 MAPT (0.40) HTTMAPTKDM4EALDH1A1APEX1
SCHEMBL21284894 0.77 MAPT (0.40) HTTMAPTKDM4EALDH1A1APEX1
SCHEMBL21152556 0.77 MAPT (0.40) HTTMAPTKDM4EALDH1A1APEX1
SCHEMBL21266994 0.77 MAPT (0.40) HTTMAPTKDM4EALDH1A1APEX1
SCHEMBL5404733 0.77 MAPT (0.40) HTTMAPTKDM4EALDH1A1APEX1

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-2968316-B1 2-HYDROXY-1-{4-[(4-PHENYLPHENYL)CARBONYL]PIPERAZIN-1-YL}ETHAN-1-ONE DERIVATIVES AND RELATED COMPOUNDS AS FATTY ACID SYNTHASE (FASN) INHIBITORS FOR THE TREATMENT OF CANCER FORMA THERAPEUTICS INC (US) 2019-08-07 EP disclosed