SCHEMBL30848628

SCHEMBL30848628

COc1ccccc1C(=O)NC1(C(F)(F)F)CC1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.56
CNR2 P34972 1/20 0.56
CTSD P07339 1/20 0.53
MAPT P10636 2/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
NPC1 O15118 2/20 0.51
STAT3 P40763 1/20 0.50
KCNK3 O14649 2/20 0.49
KCNK9 Q9NPC2 2/20 0.49
RAB9A P51151 2/20 0.49
GAA P10253 1/20 0.49
KCNA3 P22001 1/20 0.48
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
LMNA P02545 1/20 0.47

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
SCHEMBL30848469 0.81 HPGD (0.46) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL30848464 0.81 CNR2 (0.60) FAAHCNR2CTSDMAPTSMN1; SMN2
SCHEMBL30848613 0.79 FAAH (0.61) FAAHCNR2CTSDMAPTSMN1; SMN2
SCHEMBL30855446 0.78 FAAH (0.59) FAAHCNR2CTSDMAPTSMN1; SMN2
SCHEMBL30848511 0.77 MEN1 (0.60) CTSDKCNA3ALDH1A1MEN1KMT2A
SCHEMBL30848679 0.75 CNR2 (0.64) FAAHCNR2CTSDMAPTSMN1; SMN2
SCHEMBL18284638 0.75 HPGD (0.61) CTSDSMN1; SMN2NPC1STAT3KCNK3
SCHEMBL30014039 0.74 CNR2 (0.63) FAAHCNR2CTSDMAPTSMN1; SMN2
SCHEMBL30848550 0.74 FAAH (0.56) FAAHCNR2CTSDMAPTSMN1; SMN2
SCHEMBL30848456 0.74 HPGD (0.60) CTSDSMN1; SMN2NPC1STAT3KCNK3

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