SCHEMBL19485356

SCHEMBL19485356

C[C@H]1c2c(C3CCN(c4ccc(C(F)(F)F)cn4)CC3)nn(C(c3ccccc3)c3ccccc3)c2NC(=O)[C@@H]1O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LCAT P04180 9/20 0.49
▸ SMO Q99835 1/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ LMNA P02545 3/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ABL1 P00519 1/20 0.40
▸ HTT P42858 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ HRH3 Q9Y5N1 2/20 0.40
▸ TP53 P04637 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ KMT2A Q03164 1/20 0.38

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
SCHEMBL19485566 1.00 LCAT (0.49) LCATSMOL3MBTL1LMNAKDM4E
SCHEMBL18138507 0.91 LCAT (0.59) LCATSMO
SCHEMBL18138494 0.91 LCAT (0.59) LCATSMO
SCHEMBL18138496 0.91 LCAT (0.59) LCATSMO
SCHEMBL18138495 0.91 LCAT (0.59) LCATSMO
SCHEMBL18138503 0.91 LCAT (0.59) LCATSMO
SCHEMBL19485562 0.89 LCAT (0.47) LCAT
SCHEMBL19485388 0.88 LCAT (0.49) LCATHRH3
SCHEMBL19485364 0.87 LCAT (0.51) LCATHRH3
SCHEMBL19485357 0.87 LCAT (0.48) 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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