SCHEMBL28804239

SCHEMBL28804239

ClC(Cl)(Cl)c1ccc(Br)c2cccnc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.54
▸ MEN1 O00255 4/20 0.54
▸ MAPT P10636 3/20 0.54
▸ ALDH1A1 P00352 3/20 0.54
▸ APAF1 O14727 1/20 0.54
▸ TDP2 O95551 1/20 0.54
▸ CASP3 P42574 1/20 0.54
▸ SENP8 Q96LD8 1/20 0.54
▸ SENP7 Q9BQF6 1/20 0.54
▸ SENP6 Q9GZR1 1/20 0.54
▸ HSP90AA1 P07900 5/20 0.46
▸ KDM4E B2RXH2 5/20 0.46
▸ HTT P42858 4/20 0.46
▸ TP53 P04637 4/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ TDP1 Q9NUW8 3/20 0.46
▸ USP2 O75604 1/20 0.46
▸ SLC40A1 Q9NP59 2/20 0.42
▸ CKS1B P61024 1/20 0.40
▸ SKP2 Q13309 1/20 0.40

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
SCHEMBL3710953 0.82 KMT2A (0.54) KMT2AMEN1MAPTALDH1A1APAF1
SCHEMBL29456440 0.82 KMT2A (0.54) KMT2AMEN1MAPTALDH1A1APAF1
SCHEMBL11891548 0.82 KMT2A (0.59) KMT2AMEN1MAPTALDH1A1APAF1
SCHEMBL196848 0.78 KMT2A (0.68) KMT2AMEN1MAPTALDH1A1APAF1
SCHEMBL17711257 0.77 KMT2A (0.49) KMT2AMEN1MAPTALDH1A1APAF1
SCHEMBL12228310 0.77 KMT2A (0.49) KMT2AMEN1MAPTALDH1A1APAF1
SCHEMBL18980424 0.76 KMT2A (0.59) KMT2AMEN1MAPTALDH1A1APAF1
SCHEMBL29777332 0.76 KMT2A (0.59) KMT2AMEN1MAPTALDH1A1APAF1
SCHEMBL17716665 0.73 KMT2A (0.45) KMT2AMEN1MAPTALDH1A1APAF1
SCHEMBL16798532 0.72 KMT2A (0.59) KMT2AMEN1MAPTALDH1A1APAF1

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
CN-102942524-A Preparation method of quinoline derivative BEIJING VAGEAN SCIENCE & TECHNOLOGY CO LTD 2013-02-27 — — CN disclosed
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