SCHEMBL19590909

SCHEMBL19590909

Cc1ccc(Oc2ccc(NC(=O)Cn3cnc4c3C(=O)N(C)C(O)N4C)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.47
▸ MAPT P10636 5/20 0.47
▸ MEN1 O00255 4/20 0.45
▸ IDO1 P14902 1/20 0.44
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ GALR3 O60755 1/20 0.43
▸ LMNA P02545 2/20 0.42
▸ HPGD P15428 2/20 0.41
▸ GAA P10253 3/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ KCNA5 P22460 2/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ TSHR P16473 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
SCHEMBL20029975 0.85 MEN1 (0.48) KMT2AMAPTMEN1GAASMN1; SMN2
SCHEMBL19626536 0.83 MAPT (0.47) KMT2AMAPTMEN1CYP1A2LMNA
SCHEMBL21935695 0.82 PORCN (0.46) IDO1SMN1; SMN2
SCHEMBL19590905 0.82 TRPA1 (0.41) KMT2AMAPTMEN1CYP1A2CYP3A4
SCHEMBL22105261 0.82 PSEN1 (0.41) KMT2AMAPTMEN1IDO1CYP1A2
SCHEMBL19626687 0.81 SMN1; SMN2 (0.42) KMT2AMAPTMEN1IDO1CYP1A2
SCHEMBL20030198 0.80 TRPA1 (0.56) KMT2AMEN1LMNAHPGDSMN1; SMN2
SCHEMBL22105260 0.80 KMT2A (0.46) KMT2AMAPTMEN1IDO1LMNA
SCHEMBL19997366 0.79 POLB (0.46) MAPTIDO1LMNAHPGDSMN1; SMN2
SCHEMBL19590972 0.79 MEN1 (0.47) KMT2AMAPTMEN1LMNAHPGD

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-9815838-B2 Methods and compositions for treating pain HYDRA BIOSCIENCES, INC. (US) 2017-11-14 — — US disclosed
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