SCHEMBL30908151

SCHEMBL30908151

O=C(O)c1cnc(-c2ccc(C(F)(F)F)nc2)s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MAPT P10636 2/20 0.43
ALDH1A1 P00352 2/20 0.43
NFKB1 P19838 1/20 0.42
PPARG P37231 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
NCOA2 Q15596 1/20 0.42
NCOA1 Q15788 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
PTPN1 P18031 1/20 0.40
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40

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
SCHEMBL1986146 0.82 HDAC1 (0.57) HDAC1HDAC6SMN1; SMN2NPC1RAB9A
SCHEMBL20894394 0.77 HCAR2 (0.51) HDAC1HDAC6SMN1; SMN2NPC1RAB9A
SCHEMBL16703334 0.76 PTPN11 (0.59) HDAC1HDAC6SMN1; SMN2NPC1RAB9A
SCHEMBL12521327 0.76 HDAC1 (0.50) HDAC1HDAC6SMN1; SMN2NPC1RAB9A
SCHEMBL26051112 0.75 PIK3CA (0.43) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL25409639 0.75 RAB9A (0.59) HDAC6SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL30567657 0.75 RAB9A (0.44) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E
SCHEMBL30567669 0.75 RAB9A (0.59) HDAC6SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL25407809 0.75 RAB9A (0.44) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E
SCHEMBL16088951 0.75 PIK3CA (0.41) HDAC1HDAC6ALDH1A1PIK3CDPIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024074611-A1 PRMT5 INHIBITORS Ryvu Therapeutics S.A. (PL) 2024-04-11 WO disclosed