SCHEMBL28471029

SCHEMBL28471029

CC(=O)Oc1cccc2ccc(/C=C/c3ccc(-c4nc[nH]n4)cc3)nc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 17/20 0.66
▸ MEN1 O00255 16/20 0.66
▸ NPC1 O15118 12/20 0.66
▸ RAB9A P51151 10/20 0.66
▸ SMN1; SMN2 Q16637 8/20 0.66
▸ ALDH1A1 P00352 7/20 0.66
▸ LMNA P02545 6/20 0.66
▸ HPGD P15428 3/20 0.66
▸ TP53 P04637 1/20 0.66
▸ MAPT P10636 13/20 0.53
▸ KDM4E B2RXH2 4/20 0.53
▸ L3MBTL1 Q9Y468 2/20 0.53
▸ GLA P06280 1/20 0.53
▸ HTT P42858 3/20 0.47
▸ NPSR1 Q6W5P4 2/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ RECQL P46063 1/20 0.47

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
SCHEMBL3859264 0.78 KMT2A (0.70) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL15078624 0.75 KMT2A (0.65) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL12281794 0.74 KMT2A (0.73) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL12280667 0.73 KMT2A (0.66) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL28474315 0.73 KMT2A (0.62) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL28474314 0.73 KMT2A (0.62) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL16283434 0.71 KMT2A (0.59) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL10648305 0.70 MAPT (0.32) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL27952547 0.70 KMT2A (0.58) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL4458654 0.69 KMT2A (0.60) KMT2AMEN1NPC1RAB9ASMN1; SMN2

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
CN-109206405-B Triazolyl quinoline copper complex with AIE property and preparation method thereof 阜阳师范学院 2020-10-27 — — CN claimed
CN-109206405-B Triazolyl quinoline copper complex with AIE property and preparation method thereof 阜阳师范学院 2020-10-27 — — CN disclosed
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