SCHEMBL27711565

SCHEMBL27711565

CCC(=O)c1cccc(C(F)(F)F)c1Br

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TAS2R14 Q9NYV8 2/20 0.49
▸ LMNA P02545 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ PDK2 Q15119 1/20 0.43
▸ CTNNB1 P35222 3/20 0.41
▸ WNT3A P56704 3/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CTSS P25774 5/20 0.41
▸ CTSK P43235 1/20 0.40
▸ F2R P25116 1/20 0.40
▸ KCNK3 O14649 1/20 0.39
▸ KCNK9 Q9NPC2 1/20 0.39
▸ P2RX7 Q99572 2/20 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
SCHEMBL27913887 0.85 HSP90AB1 (0.40) TAS2R14LMNAGAAPDK2CTNNB1
SCHEMBL29410857 0.82 CTNNB1 (0.57) LMNAGAAPDK2CTNNB1WNT3A
SCHEMBL1950901 0.82 CTNNB1 (0.57) LMNAGAAPDK2CTNNB1WNT3A
SCHEMBL24450817 0.81 PDK2 (0.44) TAS2R14LMNAGAAPDK2CTNNB1
SCHEMBL4873112 0.81 CTSS (0.55) TAS2R14LMNAGAAPDK2CTNNB1
SCHEMBL28798676 0.81 CTSS (0.55) TAS2R14LMNAGAAPDK2CTNNB1
Hydrochloric Acid SCHEMBL5819908 0.81 CTNNB1 (0.55) LMNAGAAPDK2CTNNB1WNT3A
SCHEMBL31693161 0.81 TAS2R14 (0.53) TAS2R14LMNAGAAPDK2SMN1; SMN2
SCHEMBL2473776 0.81 TAS2R14 (0.53) TAS2R14LMNAGAAPDK2SMN1; SMN2
SCHEMBL4104026 0.80 CTNNB1 (0.43) TAS2R14LMNAGAAPDK2CTNNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102307852-A Cyclic amine compounds DAIICHI SANKYO CO LTD 2012-01-04 — — CN disclosed
CN-102307847-A Indanyl compounds DAIICHI SANKYO CO LTD 2012-01-04 — — CN disclosed
CN-102112475-A Imidazopyridine and related analogs as sirtuin modulators SIRTRIS PHARMACEUTICALS INC 2011-06-29 — — CN disclosed
CN-102083821-A Hepatitis c virus inhibitors BRISTOL MYERS SQUIBB CO 2011-06-01 — — CN disclosed
CN-102056907-A Heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL 2011-05-11 — — CN disclosed
CN-101103007-A Amide compound TAKEDA PHARMACEUTICAL (JP) 2008-01-09 — — CN disclosed
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