SCHEMBL8615387

SCHEMBL8615387

C[CH]CNC(=O)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
POLB P06746 1/20 0.50
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
EPHX1 P07099 1/20 0.45
CA3 P07451 2/20 0.43
CA5A P35218 2/20 0.43
CA5B Q9Y2D0 2/20 0.43
CA2 P00918 2/20 0.43
CA14 Q9ULX7 2/20 0.43
CA12 O43570 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
EPHX2 P34913 1/20 0.31
NR1H4 Q96RI1 1/20 0.31
MAPT P10636 1/20 0.31
GLA P06280 1/20 0.30

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
SCHEMBL9431459 0.82 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL9431466 0.82 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL18262004 0.80 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL18262005 0.80 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL9340830 0.78 CA3 (0.56) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL236402 0.76 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL6263928 0.76 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL17268409 0.76 EPHX1 (0.46) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL3180753 0.73 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL3180746 0.73 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2POLBMEN1KMT2A

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-1998039349-A1 PROTECTING GROUP FOR SYNTHESIZING OLIGONUCLEOTIDE ANALOGS ISIS PHARMACEUTICALS, INC. (US) 1998-09-11 WO disclosed