SCHEMBL12779205

SCHEMBL12779205

CCO/N=C(\C)c1ccc(F)cc1C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
PTBP1 P26599 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
IDO1 P14902 2/20 0.39
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CA12 O43570 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
S1PR1 P21453 1/20 0.34
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
EPHX2 P34913 1/20 0.33

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
SCHEMBL6814976 0.83 KMT2A (0.39) LMNAPTBP1SMN1; SMN2IDO1KMT2A
SCHEMBL6814979 0.83 KMT2A (0.39) LMNAPTBP1SMN1; SMN2IDO1KMT2A
SCHEMBL12779138 0.80 ADRA1A (0.41) LMNAKMT2AL3MBTL1ADRA1A
SCHEMBL12779147 0.77 HTT (0.40) KMT2AL3MBTL1MAPTTDP1
SCHEMBL20831352 0.76 IDO1 (0.40) IDO1KMT2AATMHCRTR1HCRTR2
SCHEMBL12779219 0.75 CCR5 (0.33) LMNASMN1; SMN2KMT2AL3MBTL1MAPT
SCHEMBL12778438 0.74 NR3C2 (0.38) SMN1; SMN2NR3C2ADRA1A
SCHEMBL27485011 0.73 IDO1 (0.39) IDO1KMT2AATMCYP3A4ESR1
SCHEMBL12779144 0.73 ALDH1A1 (0.38) LMNASMN1; SMN2KMT2AL3MBTL1MAPT
SCHEMBL30172263 0.73 TSHR (0.52) LMNASMN1; SMN2KMT2AATML3MBTL1

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-7906538-B2 Parasiticides; nematocides; crop protection SCHERING-PLOUGH ANIMAL HEALTH CORPORATION (US) 2011-03-15 US disclosed