SCHEMBL24083883

SCHEMBL24083883

CC(C)(c1ccc(OCCCN2CCNCC2)cc1)c1ccc(OCCCCl)c(Br)c1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.59
▸ KMT2A Q03164 3/20 0.59
▸ ALDH1A1 P00352 3/20 0.59
▸ SMN1; SMN2 Q16637 3/20 0.59
▸ MAPT P10636 1/20 0.59
▸ PSMB1 P20618 1/20 0.46
▸ PSMB5 P28074 1/20 0.46
▸ PSMB2 P49721 1/20 0.46
▸ HRH3 Q9Y5N1 10/20 0.45
▸ HRH2 P25021 3/20 0.45
▸ HRH1 P35367 3/20 0.45
▸ LMNA P02545 2/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ MAOB P27338 4/20 0.43
▸ THRB P10828 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41

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
SCHEMBL24083877 0.90 ALDH1A1 (0.61) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL24083735 0.89 MEN1 (0.60) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL24083788 0.88 MEN1 (0.72) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL24377888 0.88 KMT2A (0.55) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL24083869 0.88 KMT2A (0.55) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL24083872 0.88 PSMB1 (0.46) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL24083707 0.88 HRH3 (0.52) ALDH1A1SMN1; SMN2PSMB1PSMB5PSMB2
SCHEMBL24083945 0.85 KMT2A (0.56) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL24083870 0.85 KMT2A (0.51) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL24083731 0.77 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2PSMB1PSMB5PSMB2

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
EP-3988541-B1 HETEROCYCLIC COMPOUNDS FOR CANCER IMAGING AND TREATMENT AND METHODS FOR THEIR USE BRITISH COLUMBIA CANCER AGENCY BRANCH (CA) 2024-06-26 — — EP disclosed
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
EP-3245193-B1 HETEROCYCLIC COMPOUNDS FOR CANCER IMAGING AND TREATMENT AND METHODS FOR THEIR USE BRITISH COLUMBIA CANCER AGENCY BRANCH (CA) 2021-12-08 — — EP disclosed
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