SCHEMBL19910384

SCHEMBL19910384

C=C(O)c1ccc(CN(Cc2ccccc2F)C(=O)c2nn(C)c3c2COc2ccc(Cl)cc2-3)cc1

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 17/20 0.75
▸ MAPT P10636 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ TP53 P04637 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
SCHEMBL16702948 0.94 NR1H4 (0.85) NR1H4MAPTPOLB
SCHEMBL16702841 0.89 NR1H4 (0.71) NR1H4MAPTPOLB
SCHEMBL16701833 0.89 NR1H4 (0.73) NR1H4MAPTPOLBTP53
SCHEMBL16702322 0.88 NR1H4 (0.80) NR1H4MAPTPOLBTP53
SCHEMBL16702458 0.88 NR1H4 (0.82) NR1H4MAPTPOLBTP53
SCHEMBL16702933 0.87 NR1H4 (0.65) NR1H4MAPTPOLBTP53
Nidufexor SCHEMBL16702097 0.86 NR1H4 (1.00) NR1H4MAPTPOLBTP53
Nidufexor SCHEMBL29416457 0.86 NR1H4 (1.00) NR1H4MAPTPOLBTP53
SCHEMBL18191629 0.85 NR1H4 (0.67) NR1H4MAPTPOLB
SCHEMBL21574217 0.85 NR1H4 (0.63) NR1H4MAPTPOLBTP53

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
EP-3065738-B1 COMPOSITIONS AND METHODS FOR MODULATING FARNESOID X RECEPTORS NOVARTIS AG (CH) 2018-02-28 — — EP disclosed
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