SCHEMBL9750201

SCHEMBL9750201

C=CCN(CC=C)NC(=O)Cl

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL4352238 0.81 ALDH1A1 (0.37) ALDH1A1MEN1KMT2A
SCHEMBL6694454 0.80 ALDH1A1 (0.39) ALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL9820028 0.79 ALDH1A1 (0.35) ALDH1A1MEN1KMT2A
SCHEMBL169910 0.78 ALDH1A1 (0.38) ALDH1A1MEN1KMT2A
SCHEMBL7736055 0.76 ALDH1A1 (0.42) ALDH1A1
SCHEMBL3263644 0.76 ALDH1A1 (0.37) ALDH1A1
SCHEMBL5606415 0.73 ALDH1A1 (0.36) ALDH1A1MEN1KMT2A
SCHEMBL5461842 0.71 ALDH1A1 (0.33) ALDH1A1MEN1KMT2A
Bromide SCHEMBL10396668 0.71 ALDH1A1 (0.34) ALDH1A1MEN1KMT2A
SCHEMBL10784015 0.70 ALDH1A1 (0.32) ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5096914-A Hypotensive agents BEIERSDORF AKTIENGESELLSCHAFT (DE) 1992-03-17 US disclosed
US-5028711-A Hypotensive Agents BEIERSDORF AKTIENGESELLSCHAFT (DE) 1991-07-02 US disclosed
US-5001261-A Cyclohexenone derivatives and their use for controlling undesirable plant growth BASF AKTIENGESELLSCHAFT (DE) 1991-03-19 US disclosed
US-4692553-A Cyclohexenone derivatives and their use for controlling undesirable plant growth BASF AKTIENGESELLSCHAFT (DE) 1987-09-08 US disclosed