SCHEMBL29816787

SCHEMBL29816787

O=C(CBr)Nc1ccc(CC(CNCc2ccccc2O)NCc2ccccc2O)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ TSHR P16473 2/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CA12 O43570 7/20 0.38
▸ CA2 P00918 7/20 0.38
▸ PKM P14618 1/20 0.37
▸ CA9 Q16790 6/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ MPO P05164 3/20 0.36
▸ CA1 P00915 2/20 0.36
▸ MAOA P21397 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ NOX4 Q9NPH5 1/20 0.34
▸ ALOX15 P16050 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
SCHEMBL14291193 0.80 POLB (0.60) HIF1APOLBMAPK1TSHRCYP2D6
SCHEMBL13060284 0.78 POLB (0.48) HIF1APOLBMAPK1TSHRCYP2D6
SCHEMBL13003576 0.76 ITGA4 (0.47) HIF1APOLBMAPK1TSHRCYP2D6
SCHEMBL28044796 0.69 RECQL (0.48) HIF1ATSHRCYP2D6CA12CA2
SCHEMBL13334635 0.68 KMT2A (0.42) POLB
SCHEMBL11977390 0.67 MAPK1 (0.63) HIF1APOLBMAPK1TSHRCYP2D6
SCHEMBL28044791 0.67 HIF1A (0.59) HIF1ATSHRCYP2D6CA12CA2
SCHEMBL3293164 0.67 MEN1 (0.37) HIF1ATSHRCA12CA2CA9
SCHEMBL11209719 0.66 SMN1; SMN2 (0.54) TSHRCA12CA2CA9CA1
SCHEMBL32665522 0.66 TSHR (0.53) HIF1ATSHRCYP2D6CA12CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230226231-A1 CONJUGATED AND LABELLED APELIN, PREPARATION AND USES THEREOF ASSISTANCE PUBLIQUE HÔPITAUX DE MARSEILLE (FR) 2023-07-20 — — US claimed
EP-4168054-A1 CONJUGATED AND LABELLED APELIN, PREPARATION AND USES THEREOF Universite d'Aix Marseille (FR) 2023-04-26 — — EP claimed
US-20230226231-A1 CONJUGATED AND LABELLED APELIN, PREPARATION AND USES THEREOF ASSISTANCE PUBLIQUE HÔPITAUX DE MARSEILLE (FR) 2023-07-20 — — US disclosed
EP-4168054-A1 CONJUGATED AND LABELLED APELIN, PREPARATION AND USES THEREOF Universite d'Aix Marseille (FR) 2023-04-26 — — EP disclosed
US-11427648-B2 Anti-CD146 antibodies and uses thereof UNIVERSITE D'AIX-MARSEILLE (FR) 2022-08-30 — — US disclosed
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