SCHEMBL7344165

SCHEMBL7344165

O=C(O)N=P(c1ccccc1)(c1ccccc1)c1ccccc1CN1CCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ ALDH1A1 P00352 4/20 0.41
▸ CHRNA7 P36544 1/20 0.40
▸ GAA P10253 2/20 0.38
▸ MPO P05164 2/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ TSHR P16473 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ CYP2D6 P10635 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ GRIN2B Q13224 1/20 0.36
▸ APP P05067 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36
▸ VEGFA P15692 1/20 0.36
▸ EGLN1 Q9GZT9 1/20 0.36

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
SCHEMBL7349941 0.99 KMT2A (0.47) MEN1KMT2AALDH1A1CHRNA7GAA
SCHEMBL7352882 0.76 POLB (0.36) MEN1KMT2AALDH1A1KDM4ETSHR
SCHEMBL7346734 0.74 MAPT (0.39) ALDH1A1GAATSHR
SCHEMBL7350255 0.72 TSHR (0.39) MEN1KMT2AALDH1A1GAATSHR
SCHEMBL7344848 0.71 RORC (0.39) MEN1KMT2AALDH1A1TSHRLMNA
SCHEMBL362355 0.70 CA2 (0.44) MEN1KMT2AALDH1A1GAATSHR
SCHEMBL755778 0.68 KMT2A (0.55) MEN1KMT2AALDH1A1CHRNA7MPO
SCHEMBL7433040 0.68 ALDH1A1 (0.67) MEN1KMT2AALDH1A1CHRNA7MPO
SCHEMBL7322208 0.68 CA2 (0.33) MEN1KMT2AKDM4ETSHRPOLB
SCHEMBL11196594 0.68 ALDH1A1 (0.69) MEN1KMT2AALDH1A1CHRNA7MPO

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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