SCHEMBL14567007

SCHEMBL14567007

O=C1C(Cl)=C(NCc2ccc(Cl)cc2)C(=O)c2cc3ccccc3cc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.51
▸ HKDC1 Q2TB90 2/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ APAF1 O14727 1/20 0.51
▸ HK1 P19367 1/20 0.51
▸ MAPT P10636 5/20 0.48
▸ LMNA P02545 4/20 0.48
▸ HTT P42858 4/20 0.48
▸ MITF O75030 3/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ USP2 O75604 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ NSD2 O96028 2/20 0.47
▸ HSP90AA1 P07900 1/20 0.47
▸ G6PD P11413 1/20 0.47
▸ CCR6 P51684 1/20 0.47
▸ TLR9 Q9NR96 1/20 0.47
▸ CDC25A P30304 5/20 0.46
▸ L3MBTL1 Q9Y468 2/20 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
SCHEMBL14567006 0.89 RAB9A (0.49) KMT2AHKDC1RAB9AAPAF1HK1
SCHEMBL14663091 0.88 KMT2A (0.63) KMT2AHKDC1RAB9AAPAF1HK1
SCHEMBL2466820 0.79 NSD2 (0.71) KMT2AHKDC1RAB9AAPAF1HK1
SCHEMBL22212590 0.77 MAPT (0.63) KMT2AHKDC1RAB9AAPAF1HK1
SCHEMBL9750769 0.74 HKDC1 (0.60) KMT2AHKDC1RAB9AAPAF1HK1
SCHEMBL6509081 0.73 MAPT (0.66) KMT2AHKDC1RAB9AAPAF1HK1
SCHEMBL18398716 0.73 CDC25A (0.66) KMT2AHKDC1RAB9AAPAF1HK1
SCHEMBL18457363 0.72 PTPN6 (0.67) KMT2AHKDC1RAB9AAPAF1HK1
SCHEMBL29562554 0.72 IDO1 (0.64) KMT2AHKDC1RAB9AMAPTLMNA
SCHEMBL8666029 0.72 IDO1 (0.64) KMT2AHKDC1RAB9AMAPTLMNA

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
WO-2007026041-A2 COMPUESTOS QUINÓNICOS ANTITUMORALES Y SUS DERIVADOS, PROCEDIMIENTO DE OBTENCIÓN Y SUS APLICACIONES CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) 2007-03-08 — — WO disclosed
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