SCHEMBL11686243

SCHEMBL11686243

O=C(Cl)N(C(=O)N1CCCCC1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
POLB P06746 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
HPGD P15428 3/20 0.47
HSD11B1 P28845 2/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.42
GAA P10253 2/20 0.41
LMNA P02545 2/20 0.40
MAPK1 P28482 1/20 0.40
NPC1 O15118 1/20 0.40
GLA P06280 1/20 0.40
TSHR P16473 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL11661567 0.79 ALDH1A1 (0.87) ALDH1A1POLBSMN1; SMN2HPGDHSD11B1
SCHEMBL11195264 0.77 ALDH1A1 (0.83) ALDH1A1POLBSMN1; SMN2HPGDKMT2A
SCHEMBL10871575 0.75 NPSR1 (0.50) ALDH1A1POLBSMN1; SMN2KMT2AMEN1
SCHEMBL7747779 0.74 ALDH1A1 (0.48) ALDH1A1POLBSMN1; SMN2HPGDGAA
SCHEMBL27503889 0.74 GAA (0.63) ALDH1A1POLBSMN1; SMN2HPGDKMT2A
SCHEMBL7669587 0.73 ALDH1A1 (0.58) ALDH1A1POLBSMN1; SMN2HPGDHSD11B1
SCHEMBL7669578 0.73 ALDH1A1 (0.58) ALDH1A1POLBSMN1; SMN2HPGDHSD11B1
SCHEMBL11673713 0.73 ALDH1A1 (0.50) ALDH1A1POLBSMN1; SMN2HPGDKMT2A
SCHEMBL5822056 0.72 ALDH1A1 (0.56) ALDH1A1POLBSMN1; SMN2HPGDHSD11B1
SCHEMBL7748474 0.72 ALDH1A1 (0.46) ALDH1A1POLBSMN1; SMN2HPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3950367-A FROM IMINO COMPOUND AND PHOSGENE, HERBICIDES BAYER AKTIENGESELLSCHAFT (DT) 1976-04-13 US claimed
US-4001318-A HERBICIDES BAYER AKTIENGESELLSCHAFT (DT) 1977-01-04 US disclosed
US-3950367-A FROM IMINO COMPOUND AND PHOSGENE, HERBICIDES BAYER AKTIENGESELLSCHAFT (DT) 1976-04-13 US disclosed