SCHEMBL24377980

SCHEMBL24377980

CC(C)(c1ccc(OCCCN2CCSCC2)cc1)c1ccc(OC[C@H](O)CCl)c(Br)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 1/20 0.46
▸ KMT2A Q03164 4/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HRH3 Q9Y5N1 8/20 0.41
▸ PSMB1 P20618 1/20 0.40
▸ PSMB5 P28074 1/20 0.40
▸ PSMB2 P49721 1/20 0.40
▸ MAOB P27338 4/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37

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
SCHEMBL24083904 1.00 AR (0.46) ARKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL24083783 1.00 AR (0.46) ARKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL24083934 0.91 AR (0.48) ARKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL24083865 0.91 AR (0.47) ARKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL24083813 0.90 AR (0.47) ARKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL24083786 0.90 AR (0.47) ARKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL24083774 0.89 AR (0.46) ARKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL24083869 0.89 KMT2A (0.55) ARKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL24377888 0.89 KMT2A (0.55) ARKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL20556909 0.89 KMT2A (0.52) ARKMT2AMEN1ALDH1A1SMN1; SMN2

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
EP-3988541-A1 HETEROCYCLIC COMPOUNDS FOR CANCER IMAGING AND TREATMENT AND METHODS FOR THEIR USE British Columbia Cancer Agency Branch (CA) 2022-04-27 — — EP disclosed
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