SCHEMBL13624501

SCHEMBL13624501

C[C@@H](CCc1ccccc1)NC(=O)C(C)(F)F

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.61
KMT2A Q03164 3/20 0.61
HPGD P15428 2/20 0.61
MEN1 O00255 1/20 0.61
HTT P42858 1/20 0.61
POLB P06746 1/20 0.58
ALDH1A1 P00352 2/20 0.57
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
CYP2C9 P11712 3/20 0.55
CYP2C19 P33261 3/20 0.55
CYP1A2 P05177 2/20 0.55
CYP3A4 P08684 1/20 0.55
MAPK1 P28482 1/20 0.55
HSP90AA1 P07900 1/20 0.55
KDM4E B2RXH2 1/20 0.55
EPHX2 P34913 1/20 0.54

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
SCHEMBL20874537 0.89 SMN1; SMN2 (0.63) SMN1; SMN2KMT2AHPGDMEN1HTT
SCHEMBL13623898 0.84 NPC1 (0.65) SMN1; SMN2KMT2AMEN1ALDH1A1NPC1
SCHEMBL2543476 0.80 SMN1; SMN2 (0.73) SMN1; SMN2KMT2AHPGDMEN1HTT
SCHEMBL3134592 0.80 SMN1; SMN2 (0.56) SMN1; SMN2KMT2AHPGDMEN1HTT
SCHEMBL10338537 0.79 SMN1; SMN2 (0.71) SMN1; SMN2KMT2AHPGDMEN1HTT
SCHEMBL10439543 0.79 SMN1; SMN2 (0.71) SMN1; SMN2KMT2AHPGDMEN1HTT
SCHEMBL10439379 0.79 SMN1; SMN2 (0.71) SMN1; SMN2KMT2AHPGDMEN1HTT
SCHEMBL3141208 0.78 LMNA (0.58) SMN1; SMN2KMT2AHPGDMEN1HTT
SCHEMBL10981741 0.78 CTSK (0.62) SMN1; SMN2KMT2AHPGDMEN1HTT
SCHEMBL10974978 0.78 CTSK (0.62) SMN1; SMN2KMT2AHPGDMEN1HTT

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
WO-2009142569-A1 PHENYL OR PYRIDINYL SUBSTITUTED INDAZOLES DERIVATIVES ASTRAZENECA AB (SE) 2009-11-26 WO disclosed