SCHEMBL4604843

SCHEMBL4604843

CC(=Nc1ccc(Cl)cc1C)c1cccc(C(C)=Nc2ccc(Cl)cc2C)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 1/20 0.39
CACNA1B Q00975 1/20 0.39
APBA1 Q02410 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
MRGPRX4 Q96LA9 2/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
GAA P10253 3/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
ALOX12 P18054 1/20 0.38
GFER P55789 1/20 0.38
HSP90AA1 P07900 1/20 0.37
HKDC1 Q2TB90 1/20 0.37
NPFFR1 Q9GZQ6 1/20 0.35

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
SCHEMBL4604842 1.00 MAPT (0.39) MAPTALDH1A1KDM4EHPGDCACNA1B
Hydrochloric Acid SCHEMBL3292057 0.97 MAPT (0.39) MAPTALDH1A1KDM4EHPGDCACNA1B
Hydrochloric Acid SCHEMBL3292054 0.97 MAPT (0.39) MAPTALDH1A1KDM4EHPGDCACNA1B
SCHEMBL3165623 0.88 ALDH1A1 (0.49) MAPTALDH1A1KDM4EMRGPRX4MEN1
SCHEMBL3165619 0.88 ALDH1A1 (0.49) MAPTALDH1A1KDM4EMRGPRX4MEN1
SCHEMBL1164472 0.86 MAPT (0.46) MAPTALDH1A1KDM4ENPSR1MRGPRX4
SCHEMBL1164471 0.86 MAPT (0.46) MAPTALDH1A1KDM4ENPSR1MRGPRX4
Hydrochloric Acid SCHEMBL3174481 0.85 ALDH1A1 (0.47) MAPTALDH1A1KDM4ENPSR1MRGPRX4
Bromide SCHEMBL3185901 0.85 ALDH1A1 (0.47) MAPTALDH1A1KDM4EMRGPRX4MEN1
SCHEMBL28374528 0.84 MAPT (0.45) MAPTALDH1A1KDM4ENPSR1MRGPRX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1943281-A1 HYBRID CATALYST SYSTEMS SUPPORTED ON MAGNESIUM HALIDE Basell Polyolefine GmbH (DE) 2008-07-16 EP disclosed
WO-2007042252-A1 HYBRID CATALYST SYSTEMS SUPPORTED ON MAGNESIUM HALIDE BASELL POLYOLEFINE GMBH (DE) 2007-04-19 WO disclosed