SCHEMBL10849384

SCHEMBL10849384

Cc1cccc(C)c1NC(=O)/C=C1\SCC(=O)N1c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.47
▸ KMT2A Q03164 5/20 0.47
▸ MEN1 O00255 4/20 0.47
▸ MAPT P10636 2/20 0.47
▸ GAA P10253 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.45
▸ PSMD14 O00487 1/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ RIPK1 Q13546 1/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ LMNA P02545 3/20 0.38
▸ POLB P06746 2/20 0.37
▸ GFER P55789 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37

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
SCHEMBL10849390 1.00 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1MAPTGAA
SCHEMBL9813725 0.92 KMT2A (0.43) ALDH1A1KMT2AMEN1MAPTGAA
SCHEMBL10852036 0.92 KMT2A (0.43) ALDH1A1KMT2AMEN1MAPTGAA
SCHEMBL9813569 0.83 PSMD14 (0.61) ALDH1A1KMT2AMEN1MAPTGAA
SCHEMBL9813566 0.83 PSMD14 (0.61) ALDH1A1KMT2AMEN1MAPTGAA
SCHEMBL9813563 0.81 LMNA (0.49) ALDH1A1KMT2AMAPTTDP1PSMD14
SCHEMBL9813560 0.81 LMNA (0.49) ALDH1A1KMT2AMAPTTDP1PSMD14
SCHEMBL9813588 0.80 LMNA (0.45) ALDH1A1KMT2AMEN1MAPTTDP1
SCHEMBL9813583 0.80 LMNA (0.45) ALDH1A1KMT2AMEN1MAPTTDP1
SCHEMBL9813556 0.77 MAPK1 (0.44) ALDH1A1KMT2AMEN1MAPTTDP1

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-4563471-A CENTRAL NERVOUS SYSTEM DISORDERS WARNER-LAMBERT COMPANY (US) 1986-01-07 — — US disclosed
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