SCHEMBL9799674

SCHEMBL9799674

N#CCON=C(c1ccc(F)cc1)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
LMNA P02545 2/20 0.39
PTBP1 P26599 1/20 0.39
PLOD2 O00469 1/20 0.36
CTSL P07711 2/20 0.33
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
GAA P10253 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ALPG P10696 1/20 0.31
SLC6A4 P31645 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
SCHEMBL9799744 0.86 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL9799918 0.86 SMN1; SMN2 (0.54) ALDH1A1SMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL9864779 0.78 LMNA (0.41) ALDH1A1SMN1; SMN2LMNAPTBP1PLOD2
SCHEMBL11038316 0.74 PLOD2 (0.41) SMN1; SMN2CYP1A2LMNAPTBP1PLOD2
SCHEMBL9799575 0.74 PLOD2 (0.41) SMN1; SMN2CYP1A2LMNAPTBP1PLOD2
SCHEMBL10842407 0.73 SMN1; SMN2 (0.41) ALDH1A1SMN1; SMN2CYP1A2LMNAPTBP1
SCHEMBL10739600 0.72 LMNA (0.36) SMN1; SMN2LMNAPTBP1PLOD2
SCHEMBL10667603 0.72 PLOD2 (0.43) ALDH1A1SMN1; SMN2LMNAPTBP1PLOD2
SCHEMBL10976887 0.72 LMNA (0.36) SMN1; SMN2LMNAPTBP1PLOD2
SCHEMBL9799626 0.72 SMN1; SMN2 (0.40) ALDH1A1SMN1; SMN2CYP1A2CYP3A4CYP2D6

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
US-5032169-A Antidotes for herbicides CIBA-GEIGY CORPORATION (US) 1991-07-16 US claimed