SCHEMBL29861014

SCHEMBL29861014

CC(C)C(=O)Nc1ccc(Cc2cccc(F)c2)cn1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.60
ALDH1A1 P00352 6/20 0.60
NPC1 O15118 6/20 0.47
TP53 P04637 2/20 0.47
KDM4E B2RXH2 1/20 0.47
TSHR P16473 2/20 0.46
GAA P10253 1/20 0.45
MAPT P10636 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
NR3C2 P08235 1/20 0.44
ABL1 P00519 1/20 0.43
WNT3A P56704 4/20 0.43
SNCA P37840 1/20 0.43
PKM P14618 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP2C19 P33261 1/20 0.42
ALOX15 P16050 1/20 0.42

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
SCHEMBL24931553 1.00 RAB9A (0.60) RAB9AALDH1A1NPC1TP53KDM4E
SCHEMBL24932393 0.84 L3MBTL1 (0.55) RAB9AALDH1A1NPC1TP53KDM4E
SCHEMBL21394724 0.81 NPC1 (0.48) RAB9AALDH1A1NPC1KDM4ETSHR
SCHEMBL21394946 0.80 GRM5 (0.47) RAB9AALDH1A1NPC1TP53KDM4E
SCHEMBL21394763 0.80 NPC1 (0.51) RAB9AALDH1A1NPC1TP53KDM4E
SCHEMBL29355531 0.80 NPC1 (0.50) RAB9AALDH1A1NPC1TP53KDM4E
SCHEMBL21394847 0.80 NPC1 (0.50) RAB9AALDH1A1NPC1TP53KDM4E
SCHEMBL29355382 0.80 NPC1 (0.51) RAB9AALDH1A1NPC1TP53KDM4E
SCHEMBL24932307 0.80 TDP1 (0.54) RAB9AALDH1A1NPC1TP53KDM4E
SCHEMBL24932265 0.80 RAB9A (0.65) RAB9AALDH1A1NPC1TP53TSHR

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-114901280-B MrgprX2 antagonists and uses thereof 德米拉公司 2025-05-27 CN disclosed
CN-114901280-A MrgprX2 antagonists and uses thereof 德米拉公司 2022-08-12 CN disclosed