SCHEMBL7061585

SCHEMBL7061585

C(=Cn1ncc(-c2ccccc2)n1)n1ncc(-c2ccccc2)n1.[KH].[KH].[KH].[KH]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.41
▸ MEN1 O00255 4/20 0.41
▸ RAB9A P51151 4/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ NPC1 O15118 3/20 0.41
▸ L3MBTL1 Q9Y468 3/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ USP2 O75604 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ KDM4E B2RXH2 5/20 0.37
▸ MAPT P10636 4/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ IDO1 P14902 1/20 0.35
▸ METAP2 P50579 1/20 0.35
▸ KEAP1 Q14145 1/20 0.35
▸ GABRA1 P14867 1/20 0.34
▸ GABRG2 P18507 1/20 0.34
▸ GABRB3 P28472 1/20 0.34
▸ GABRA5 P31644 1/20 0.34
▸ GABRA3 P34903 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
SCHEMBL31023821 0.82 KMT2A (0.40) KMT2AMEN1RAB9ASMN1; SMN2NPC1
SCHEMBL11268683 0.77 DAGLA (0.42) KMT2AMEN1RAB9ASMN1; SMN2NPC1
SCHEMBL11032036 0.76 DAGLA (0.34) KMT2AMEN1RAB9ASMN1; SMN2NPC1
SCHEMBL9418749 0.71 KMT2A (0.43) KMT2AMEN1RAB9ASMN1; SMN2NPC1
SCHEMBL7918782 0.71 KMT2A (0.52) KMT2AMEN1RAB9ASMN1; SMN2NPC1
SCHEMBL186881 0.69 KDM4E (0.51) KMT2AMEN1RAB9ASMN1; SMN2NPC1
SCHEMBL17279823 0.69 KDM4E (0.56) KMT2AMEN1RAB9ASMN1; SMN2NPC1
SCHEMBL11682761 0.68 KDM4E (0.43) KMT2AMEN1RAB9ASMN1; SMN2NPC1
SCHEMBL29009124 0.68 ALDH1A1 (0.44) KMT2AMEN1RAB9ASMN1; SMN2NPC1
SCHEMBL28883975 0.68 KMT2A (0.41) KMT2AMEN1RAB9ASMN1; SMN2NPC1

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
US-6730227-B2 Method of monitoring membrane separation processes NALCO COMPANY 2004-05-04 — — US claimed
US-20030183575-A1 METHOD OF MONITORING MEMBRANE SEPARATION PROCESSES ECOLAB USA INC. 2003-10-02 — — US claimed
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