SCHEMBL16638539

SCHEMBL16638539

Cc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)c(C)c1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2C19 P33261 1/20 0.60
HPGD P15428 3/20 0.57
RAB9A P51151 1/20 0.52
KMT2A Q03164 1/20 0.51
LMNA P02545 7/20 0.50
HTT P42858 3/20 0.50
POLB P06746 2/20 0.50
MAPT P10636 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.48
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
GAA P10253 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
LIPE Q05469 1/20 0.45

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
SCHEMBL6098647 0.86 CYP1A2 (0.64) CYP1A2CYP3A4CYP2C19HPGDRAB9A
SCHEMBL1154267 0.84 CYP1A2 (0.73) CYP1A2CYP3A4CYP2C19HPGDRAB9A
SCHEMBL12585076 0.83 LMNA (0.64) CYP1A2CYP3A4CYP2C19HPGDRAB9A
SCHEMBL1153408 0.82 LMNA (0.56) CYP1A2CYP3A4CYP2C19HPGDRAB9A
SCHEMBL1270965 0.80 CYP1A2 (0.56) CYP1A2CYP3A4CYP2C19HPGDRAB9A
SCHEMBL20381747 0.80 RAB9A (0.72) CYP1A2CYP3A4CYP2C19HPGDRAB9A
SCHEMBL8637756 0.78 LMNA (0.49) CYP1A2CYP3A4CYP2C19HPGDRAB9A
SCHEMBL3748894 0.78 CYP1A2 (0.60) CYP1A2CYP3A4CYP2C19HPGDRAB9A
SCHEMBL8635319 0.78 RAB9A (0.66) CYP1A2CYP3A4CYP2C19HPGDRAB9A
SCHEMBL16638538 0.78 RAB9A (0.62) CYP1A2CYP3A4CYP2C19HPGDRAB9A

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-9006259-B2 N1-sulfonyl-5-fluoropyrimidinone derivatives DOW AGROSCIENCES LLC (US) 2015-04-14 US disclosed