SCHEMBL19485091

SCHEMBL19485091

C[C@H]1c2c(C3CCN(c4ncc(C(F)(F)F)cc4Cl)CC3)n[nH]c2NC(=O)[C@H]1O

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LCAT P04180 7/20 0.63
▸ SMN1; SMN2 Q16637 6/20 0.47
▸ LMNA P02545 3/20 0.47
▸ POLB P06746 2/20 0.47
▸ MAPT P10636 5/20 0.45
▸ MEN1 O00255 4/20 0.45
▸ KMT2A Q03164 4/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ HPGD P15428 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ CYP2C9 P11712 2/20 0.44
▸ CYP2C19 P33261 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44

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
SCHEMBL18138610 0.90 LCAT (0.76) LCATSMN1; SMN2LMNAMAPTMEN1
SCHEMBL18138609 0.90 LCAT (0.76) LCATSMN1; SMN2LMNAMAPTMEN1
SCHEMBL18138554 0.90 LCAT (0.76) LCATSMN1; SMN2LMNAMAPTMEN1
SCHEMBL19485564 0.81 LCAT (0.62) LCATMAPT
SCHEMBL19485089 0.78 LCAT (0.50) LCATSMN1; SMN2LMNAPOLBMAPT
SCHEMBL16648838 0.78 LCAT (0.73) LCATSMN1; SMN2LMNAMAPTMEN1
SCHEMBL19485568 0.76 LCAT (0.62) LCAT
SCHEMBL19485093 0.74 LCAT (0.63) LCAT
SCHEMBL19485567 0.73 LCAT (0.65) LCAT
SCHEMBL19485396 0.73 LCAT (0.65) LCAT

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
US-9796709-B2 5-hydroxy-4-(trifluoromethyl)pyrazolopyridine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-10-24 — — US disclosed
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