SCHEMBL30848427

SCHEMBL30848427

COc1ccccc1C(=O)NC1CCC(F)(F)C1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 7/20 0.53
KMT2A Q03164 2/20 0.52
FAAH O00519 1/20 0.51
CNR2 P34972 1/20 0.51
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
MEN1 O00255 1/20 0.49
TAS1R3 Q7RTX0 1/20 0.49
TAS1R1 Q7RTX1 1/20 0.49
TAS1R2 Q8TE23 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 0.89 FAAH (0.56) KMT2AFAAHCNR2NPC1RAB9A
SCHEMBL2542357 0.82 TAS1R3 (0.68) KCNA3KMT2ANPC1RAB9AMEN1
SCHEMBL30848446 0.80 CTSD (0.58) KMT2AFAAHCNR2NPC1RAB9A
SCHEMBL11236668 0.78 RAB9A (0.71) KMT2ANPC1RAB9AMEN1TAS1R3
SCHEMBL30848554 0.77 KMT2A (0.54) KMT2AFAAHCNR2NPC1RAB9A
SCHEMBL30855447 0.77 KMT2A (0.54) KMT2AFAAHCNR2NPC1RAB9A
SCHEMBL593297 0.76 HTR4 (0.58) KCNA3KMT2ANPC1RAB9AMEN1
SCHEMBL13944687 0.76 LRRK2 (0.47) KMT2ACNR2MEN1TAS1R3TAS1R1
SCHEMBL13175842 0.76 LRRK2 (0.47) KMT2ACNR2MEN1TAS1R3TAS1R1
SCHEMBL15880704 0.75 CTSD (0.55) KMT2AFAAHCNR2NPC1RAB9A

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