SCHEMBL14412290

SCHEMBL14412290

O=C(c1ccc(-c2cc(C(F)(F)F)n(CF)n2)s1)C1CCN(c2ccccc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
NOTUM Q6P988 7/20 0.39
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
S1PR1 P21453 2/20 0.37
EPHX2 P34913 1/20 0.36
CHRM2 P08172 1/20 0.36
SERPINE1 P05121 2/20 0.36
LMNA P02545 2/20 0.36
USP2 O75604 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
SCD O00767 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PDK2 Q15119 1/20 0.35

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
SCHEMBL14960376 0.77 ALDH1A1 (0.53) ALDH1A1POLBGAACHRM2LMNA
SCHEMBL13009140 0.76 ALDH1A1 (0.43) ALDH1A1POLBGAAL3MBTL1MEN1
SCHEMBL14412177 0.75 NPC1 (0.50) ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL14412392 0.74 ALDH1A1 (0.41) ALDH1A1POLBGAAPDK2
SCHEMBL14412418 0.73 ALDH1A1 (0.50) ALDH1A1POLBGAAS1PR1TSHR
SCHEMBL14412447 0.73 TRPV1 (0.43) ALDH1A1POLBGAAL3MBTL1PDK2
SCHEMBL14412199 0.72 ALDH1A1 (0.51) ALDH1A1GAATSHRMEN1KMT2A
SCHEMBL2057993 0.71 ALDH1A1 (0.57) ALDH1A1POLBGAALMNAUSP2
SCHEMBL1594998 0.70 ALDH1A1 (0.63) ALDH1A1POLBGAAL3MBTL1MEN1
SCHEMBL14412457 0.70 ALDH1A1 (0.46) ALDH1A1POLBGAAL3MBTL1MEN1

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-2007100851-A1 THERAPEUTIC COMPOUNDS HELICON THERAPEUTICS, INC. (US) 2007-09-07 WO disclosed