SCHEMBL46769

SCHEMBL46769

ONCc1cccc(C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.55
TAAR1 Q96RJ0 1/20 0.55
ACP3 P15309 1/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
PLA2G1B P04054 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
GAA P10253 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C19 P33261 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
ATG4B Q9Y4P1 1/20 0.54
HDAC1 Q13547 2/20 0.54
HDAC3 O15379 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
IDO1 P14902 2/20 0.53
DPP7 Q9UHL4 1/20 0.52
HTR2A P28223 1/20 0.51

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
Hydrochloric Acid SCHEMBL8701788 0.98 IDO1 (0.54) MLYCDTAAR1ACP3MEN1KMT2A
SCHEMBL4239980 0.84 DPP7 (0.59) MLYCDTAAR1ACP3MEN1KMT2A
SCHEMBL541044 0.84 TAAR1 (0.58) MLYCDTAAR1ACP3MEN1KMT2A
SCHEMBL9482147 0.81 TAAR1 (0.61) TAAR1ACP3MEN1KMT2ACYP1A2
SCHEMBL4368141 0.81 TAAR1 (0.59) MLYCDTAAR1ACP3MEN1KMT2A
SCHEMBL15129325 0.81 TAAR1 (0.55) MLYCDTAAR1ACP3MEN1KMT2A
SCHEMBL42728 0.81 MRGPRX4 (0.57) MLYCDTAAR1ACP3MEN1KMT2A
SCHEMBL18901273 0.81 TAAR1 (0.55) MLYCDTAAR1ACP3MEN1KMT2A
SCHEMBL29988585 0.81 MRGPRX4 (0.57) MLYCDTAAR1ACP3MEN1KMT2A
SCHEMBL24713109 0.80 MLYCD (0.67) MLYCDMEN1KMT2APLA2G1BCYP1A2

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-2012006475-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-01-12 WO disclosed