SCHEMBL30848464

SCHEMBL30848464

COc1ccccc1C(=O)NC12CC(C(F)(F)F)(C1)C2

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.60
FAAH O00519 1/20 0.60
CTSD P07339 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
NPC1 O15118 2/20 0.49
STAT3 P40763 1/20 0.48
MAPT P10636 2/20 0.47
KCNK3 O14649 2/20 0.47
KCNK9 Q9NPC2 2/20 0.47
RAB9A P51151 2/20 0.47
GAA P10253 1/20 0.47
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL30848679 0.85 CNR2 (0.64) CNR2FAAHCTSDSMN1; SMN2NPC1
SCHEMBL30014039 0.83 CNR2 (0.63) CNR2FAAHCTSDSMN1; SMN2NPC1
SCHEMBL30848628 0.81 FAAH (0.56) CNR2FAAHCTSDSMN1; SMN2NPC1
SCHEMBL31046864 0.77 BCAT2 (0.49) CNR2FAAHNPC1MAPTRAB9A
SCHEMBL30848467 0.77 CNR2 (0.89) CNR2FAAHCTSDSTAT3MAPT
SCHEMBL23877497 0.75 TSHR (0.48) SMN1; SMN2ALDH1A1
SCHEMBL23141420 0.75 FAAH (0.53) FAAHSMN1; SMN2NPC1MAPTRAB9A
SCHEMBL6085774 0.75 CNR2 (1.00) CNR2FAAHMAPTALDH1A1
SCHEMBL30848613 0.74 FAAH (0.61) CNR2FAAHCTSDSMN1; SMN2NPC1
SCHEMBL23141372 0.73 CA2 (0.42) CNR2SMN1; SMN2MAPTGAAALDH1A1

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