SCHEMBL19485089

SCHEMBL19485089

C[C@H]1c2c(C3CCN(c4ncc(C(F)(F)F)cc4Cl)CC3)nn(C(c3ccccc3)c3ccccc3)c2NC(=O)[C@H]1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LCAT P04180 2/20 0.50
▸ MAPT P10636 3/20 0.46
▸ CYP2C9 P11712 3/20 0.46
▸ CYP2C19 P33261 3/20 0.46
▸ GAA P10253 1/20 0.46
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ LMNA P02545 3/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ CHRM4 P08173 4/20 0.42
▸ KDM4E B2RXH2 3/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ METAP1 P53582 1/20 0.40
▸ CHRM5 P08912 1/20 0.40
▸ CHRM1 P11229 1/20 0.40
▸ CHRM3 P20309 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ HTT P42858 1/20 0.39

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
SCHEMBL18138563 0.91 LCAT (0.59) LCATMAPTCYP2C9CYP2C19GAA
SCHEMBL18138561 0.91 LCAT (0.59) LCATMAPTCYP2C9CYP2C19GAA
SCHEMBL18138565 0.91 LCAT (0.59) LCATMAPTCYP2C9CYP2C19GAA
SCHEMBL19485566 0.86 LCAT (0.49) LCATMAPTMEN1KMT2ALMNA
SCHEMBL19485356 0.86 LCAT (0.49) LCATMAPTMEN1KMT2ALMNA
SCHEMBL19485388 0.84 LCAT (0.49) LCATCHRM4CHRM1CHRM3
SCHEMBL19485562 0.82 LCAT (0.47) LCAT
SCHEMBL19485362 0.81 LCAT (0.49) LCAT
SCHEMBL19485560 0.79 LCAT (0.48) LCAT
SCHEMBL19485357 0.79 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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