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SCHEMBL19910368

SCHEMBL19910368

Cc1ccc2c(c1)-c1c(c(Cc3ccccc3F)nn1C)CO2

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 7/20 0.45
▸ MAPT P10636 4/20 0.39
▸ MEN1 O00255 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ POLB P06746 3/20 0.35
▸ TP53 P04637 2/20 0.35
▸ THRB P10828 1/20 0.34

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
SCHEMBL19910470 0.78 NR1H4 (0.43) NR1H4MAPTTHRB
SCHEMBL21574193 0.75 MAPT (0.44) NR1H4MAPTMEN1CYP1A2CYP2C9
SCHEMBL19910381 0.73 NR1H4 (0.57) NR1H4MAPTPOLBTHRB
SCHEMBL19910420 0.72 NR1H4 (0.44) NR1H4MAPTTP53THRB
SCHEMBL21574213 0.71 NR1H4 (0.47) NR1H4MAPTTP53
SCHEMBL16709822 0.69 NR1H4 (0.51) NR1H4MAPTMEN1CYP1A2CYP2C9
SCHEMBL2546899 0.68 MAPT (0.51) NR1H4MAPTMEN1KMT2APOLB
SCHEMBL16702933 0.65 NR1H4 (0.65) NR1H4MAPTPOLBTP53
SCHEMBL18191629 0.65 NR1H4 (0.67) NR1H4MAPTPOLBTHRB
SCHEMBL2544073 0.65 TP53 (0.47) NR1H4MAPTMEN1KMT2APOLB

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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