SCHEMBL9561885

SCHEMBL9561885

COC(=O)c1ccccc1COc1cccc(Br)c1.O=C(O)c1ccccc1COc1cccc(Br)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.53
HIF1A Q16665 3/20 0.49
MAOB P27338 2/20 0.49
KDM4E B2RXH2 4/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
NR4A2 P43354 1/20 0.47
ALDH1A1 P00352 6/20 0.46
MAPT P10636 2/20 0.45
FOLH1 Q04609 1/20 0.45
KMT2A Q03164 1/20 0.45
MAOA P21397 1/20 0.45
CYP1A2 P05177 1/20 0.45
GAA P10253 1/20 0.45
RECQL P46063 1/20 0.45
AKR1C2 P52895 1/20 0.45
AKR1C1 Q04828 1/20 0.45
HSD17B10 Q99714 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL9128160 0.95 HIF1A (0.52) MRGPRX4HIF1AMAOBKDM4ENPC1
SCHEMBL490469 0.91 MRGPRX4 (0.62) MRGPRX4HIF1AMAOBKDM4ENPC1
SCHEMBL31123658 0.83 ALDH1A1 (0.60) HIF1AKDM4ERAB9AALDH1A1MAPT
SCHEMBL10920926 0.81 ALDH1A1 (0.53) HIF1AMAOBKDM4ERAB9AALDH1A1
SCHEMBL28605556 0.81 ALDH1A1 (0.50) MAOBKDM4ENPC1RAB9ANR4A2
SCHEMBL3134818 0.80 SLC6A3 (0.52) MAOBKDM4ERAB9AALDH1A1MAPT
SCHEMBL4002760 0.79 HIF1A (0.56) MRGPRX4HIF1AMAOBKDM4EALDH1A1
SCHEMBL9561905 0.79 ALDH1A1 (0.64) MRGPRX4HIF1AKDM4EALDH1A1FOLH1
SCHEMBL1760329 0.78 PTGER4 (0.51) MRGPRX4HIF1ANR4A2ALDH1A1KMT2A
SCHEMBL4452776 0.77 HIF1A (0.61) MRGPRX4HIF1ANPC1RAB9ANR4A2

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-0409406-B1 ARYL-SUBSTITUTED AMINE DERIVATIVES USEFUL IN CANCER THERAPY THE WELLCOME FOUNDATION LIMITED (GB) 1993-09-08 EP disclosed