SCHEMBL29906009

SCHEMBL29906009

CSc1nccc(C(F)(F)F)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 4/20 0.43
ADRB1 P08588 1/20 0.40
KDM4E B2RXH2 3/20 0.40
LMNA P02545 2/20 0.40
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 2/20 0.40
MAPT P10636 1/20 0.40
CXCR4 P61073 1/20 0.40
LRRK2 Q5S007 1/20 0.37
HPGD P15428 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
POLB P06746 1/20 0.37
ATM Q13315 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HDAC3 O15379 1/20 0.36
NCOR1 O75376 1/20 0.36
HDAC4 P56524 1/20 0.36

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
SCHEMBL1184986 1.00 SYK (0.43) SYKADRB1KDM4ELMNAALDH1A1
SCHEMBL18581 0.85 LMNA (0.38) SYKKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL13019476 0.82 LMNA (0.39) SYKKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL6250182 0.80 ADRB1 (0.40) SYKADRB1LRRK2HDAC3NCOR1
SCHEMBL8345900 0.79 HDAC3 (0.42) SYKADRB1KDM4EALDH1A1LRRK2
SCHEMBL23121276 0.79 ALOX15 (0.40) LMNAALDH1A1SMN1; SMN2GAAMAPT
SCHEMBL750287 0.77 CCNT1 (0.38) KDM4ELMNAALDH1A1SMN1; SMN2GAA
SCHEMBL12933370 0.77 HDAC3 (0.40) SYKADRB1LMNAALDH1A1SMN1; SMN2
SCHEMBL12963514 0.77 HDAC3 (0.40) SYKADRB1KDM4ELMNAALDH1A1
SCHEMBL16538500 0.76 KCNH2 (0.42) LMNAPOLB

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-2022211595-A1 OXADIAZOLE COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 주식회사 엘지화학 2022-10-06 WO disclosed