SCHEMBL28052334

SCHEMBL28052334

COC(=O)c1cccc(C(F)(F)F)c1CCBr

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.41
CTSS P25774 1/20 0.40
CFTR P13569 5/20 0.40
LMNA P02545 3/20 0.40
GAA P10253 1/20 0.40
PDK2 Q15119 2/20 0.39
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.39
RBP4 P02753 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 1/20 0.38
TAS2R14 Q9NYV8 2/20 0.38
KMT2A Q03164 1/20 0.38
PDK1 Q15118 1/20 0.38
PDK3 Q15120 1/20 0.38
PDK4 Q16654 1/20 0.38
RORC P51449 1/20 0.38
KCNK3 O14649 1/20 0.38
KCNK9 Q9NPC2 1/20 0.38

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
SCHEMBL4630905 0.88 NOTUM (0.43) NOTUMCTSSCFTRLMNAGAA
SCHEMBL27273620 0.84 CTSS (0.45) NOTUMCTSSCFTRLMNAGAA
SCHEMBL30935916 0.84 LMNA (0.42) NOTUMCTSSCFTRLMNAGAA
SCHEMBL30935926 0.82 CFTR (0.44) NOTUMCTSSCFTRLMNAGAA
SCHEMBL27867432 0.79 LMNA (0.43) CFTRLMNAALDH1A1TSHRKDM4E
SCHEMBL22403860 0.77 TAS2R14 (0.52) NOTUMCFTRLMNAGAAPDK2
SCHEMBL30689795 0.77 TAS2R14 (0.52) NOTUMCFTRLMNAGAAPDK2
SCHEMBL45490 0.76 LMNA (0.59) NOTUMCFTRLMNAGAAPDK2
SCHEMBL5239843 0.75 CTSS (0.51) NOTUMCTSSCFTRLMNAGAA
SCHEMBL726068 0.75 TAS2R14 (0.54) NOTUMCTSSCFTRLMNAGAA

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
CN-103502242-B Isoindoline ketone derivatives HOFFMAN-LA ROCHE LTD. (CH) 2016-01-20 CN disclosed