SCHEMBL7346734

SCHEMBL7346734

CN(C)Cc1ccccc1P(=NC(=O)O)(c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.39
▸ SLC6A2 P23975 5/20 0.37
▸ SLC6A4 P31645 5/20 0.37
▸ SLC6A3 Q01959 4/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ TSHR P16473 2/20 0.35
▸ USP2 O75604 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ GFER P55789 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
SCHEMBL7350255 0.85 TSHR (0.39) MAPTALDH1A1TSHRGAA
SCHEMBL7344848 0.84 RORC (0.39) ALDH1A1TSHR
SCHEMBL7352882 0.81 POLB (0.36) MAPTSLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL7322208 0.76 CA2 (0.33) MAPTTSHRUSP2
SCHEMBL7344165 0.74 MEN1 (0.45) ALDH1A1TSHRGAA
SCHEMBL362355 0.74 CA2 (0.44) MAPTALDH1A1TSHRUSP2GAA
SCHEMBL7349941 0.73 KMT2A (0.47) ALDH1A1TSHRGAA
SCHEMBL7331788 0.72 CA2 (0.33) MAPTTSHRUSP2
SCHEMBL17099130 0.72 NPSR1 (0.49) ALDH1A1TSHRGAA
SCHEMBL7331335 0.72 KMT2A (0.48) ALDH1A1TSHR

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-4892885-A CARDIOTONICS, DIURETICS AMERICAN CYANAMID COMPANY 1990-01-09 — — US disclosed
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