SCHEMBL14918735

SCHEMBL14918735

COc1ccccc1NC(=O)CCc1noc(C(F)(F)F)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
LMNA P02545 4/20 0.56
HSD17B10 Q99714 3/20 0.53
TSHR P16473 2/20 0.53
GAA P10253 3/20 0.52
ALOX15 P16050 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
HPGD P15428 1/20 0.52
HTT P42858 2/20 0.51
PKM P14618 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
POLB P06746 1/20 0.50
GLA P06280 2/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47

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
SCHEMBL14918445 0.94 ALDH1A1 (0.52) ALDH1A1LMNAHSD17B10TSHRGAA
SCHEMBL14918279 0.93 HDAC3 (0.53) ALDH1A1LMNAHSD17B10TSHRGAA
SCHEMBL14918977 0.92 HDAC1 (0.55) ALDH1A1LMNAHSD17B10TSHRGAA
SCHEMBL14918978 0.92 HDAC1 (0.55) ALDH1A1LMNAHSD17B10TSHRGAA
SCHEMBL14918218 0.92 HDAC1 (0.55) ALDH1A1LMNAHSD17B10TSHRGAA
SCHEMBL14918797 0.85 LMNA (0.53) ALDH1A1LMNATSHRGAAL3MBTL1
SCHEMBL14918585 0.82 HDAC1 (0.55) ALDH1A1LMNAHSD17B10TSHRGAA
SCHEMBL14918961 0.82 PDK1 (0.47) ALDH1A1LMNAHSD17B10TSHRL3MBTL1
SCHEMBL14918950 0.81 MAPT (0.58) LMNAGAAALOX15L3MBTL1HPGD
SCHEMBL14918925 0.80 MAPT (0.59) ALDH1A1LMNAL3MBTL1HTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013066836-A1 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC (US) 2013-05-10 WO claimed
WO-2013066836-A1 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC (US) 2013-05-10 WO disclosed