SCHEMBL30848446

SCHEMBL30848446

COc1ccccc1C(=O)NC1CC1(F)F

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.58
FAAH O00519 1/20 0.57
CNR2 P34972 1/20 0.57
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
P2RX7 Q99572 1/20 0.53
NPC1 O15118 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
STAT3 P40763 1/20 0.51
GRM2 Q14416 1/20 0.51
GRM3 Q14832 1/20 0.51
RAB9A P51151 2/20 0.50
GAA P10253 1/20 0.50
KCNK3 O14649 1/20 0.49
KCNK9 Q9NPC2 1/20 0.49

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
SCHEMBL30013856 0.84 FAAH (0.56) CTSDFAAHCNR2KMT2AMEN1
SCHEMBL31275511 0.81 HDAC11 (0.44) FAAHCNR2NPC1SMN1; SMN2RAB9A
SCHEMBL30848455 0.80 NPC1 (0.56) KMT2AMEN1P2RX7NPC1SMN1; SMN2
SCHEMBL30848427 0.80 KCNA3 (0.53) FAAHCNR2KMT2AMEN1NPC1
SCHEMBL2542357 0.78 TAS1R3 (0.68) CTSDKMT2AMEN1NPC1STAT3
SCHEMBL29954061 0.78 CTSD (0.55) CTSDFAAHCNR2KMT2AMEN1
SCHEMBL30855447 0.77 KMT2A (0.54) CTSDFAAHCNR2KMT2AMEN1
SCHEMBL30848554 0.77 KMT2A (0.54) CTSDFAAHCNR2KMT2AMEN1
SCHEMBL6671288 0.76 CTSD (0.70) CTSDNPC1SMN1; SMN2STAT3RAB9A
SCHEMBL30848521 0.75 P2RX7 (0.58) CTSDFAAHCNR2KMT2AMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118043327-A FGFR inhibitors and methods of use thereof 思康睿奇(上海)药业有限公司 2024-05-14 CN claimed
CN-118043327-A FGFR inhibitors and methods of use thereof 思康睿奇(上海)药业有限公司 2024-05-14 CN disclosed