SCHEMBL11301700

SCHEMBL11301700

CCOc1ccc(Oc2cc(C(NS)C(CC=C(Br)Br)(C(=O)O)C(C)C)nc3ccccc23)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 7/20 0.38
RXFP1 Q9HBX9 4/20 0.38
LMNA P02545 6/20 0.37
KDM4E B2RXH2 5/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
BRAF P15056 1/20 0.36
MAPK14 Q16539 1/20 0.36
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 3/20 0.34
POLB P06746 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
RAD52 P43351 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL11295722 0.82 NPC1 (0.34) TP53RXFP1LMNAKDM4ESMN1; SMN2
SCHEMBL11272038 0.75 NPC1 (0.38) TP53RXFP1LMNAKDM4ESMN1; SMN2
SCHEMBL11304929 0.71 MEN1 (0.33) KMT2AMEN1
SCHEMBL11307854 0.70 BRAF (0.34) LMNAKDM4ERAB9ANPC1ALDH1A1
SCHEMBL11274875 0.68 BRAF (0.35) KDM4ESMN1; SMN2BRAFMAPK14KMT2A
SCHEMBL11283398 0.66 TP53 (0.40) TP53RXFP1LMNAKDM4ESMN1; SMN2
SCHEMBL7839571 0.64 SMN1; SMN2 (0.43) TP53RXFP1LMNAKDM4ESMN1; SMN2
SCHEMBL11272042 0.61 NPC1 (0.38) TP53RXFP1LMNAKDM4ESMN1; SMN2
SCHEMBL10917911 0.60 L3MBTL1 (0.50) TP53LMNAKDM4ESMN1; SMN2ALDH1A1
SCHEMBL2657275 0.58 SMN1; SMN2 (0.57) TP53LMNAKDM4ESMN1; SMN2ALDH1A1

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-4338326-A PESTICIDES UNION CARBIDE CORPORATION (US) 1982-07-06 US disclosed