SCHEMBL6743467

SCHEMBL6743467

CC(=O)NC1C=Cc2nc3ccccc3cc2C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP2A P11388 1/20 0.40
▸ TOP2B Q02880 1/20 0.40
▸ RAB9A P51151 7/20 0.37
▸ NPC1 O15118 6/20 0.37
▸ KDM4E B2RXH2 5/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ MAPT P10636 3/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ PABPC1 P11940 1/20 0.37
▸ MAP3K5 Q99683 1/20 0.35
▸ POLB P06746 3/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ RXFP1 Q9HBX9 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ LMNA P02545 3/20 0.34
▸ TSHR P16473 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ MITF O75030 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
SCHEMBL9334583 0.81 NPC1 (0.41) RAB9ANPC1KDM4EKMT2AMAPT
SCHEMBL18493250 0.81 RAB9A (0.35) TOP2ATOP2BRAB9ANPC1KDM4E
SCHEMBL7789108 0.80 RAB9A (0.38) RAB9ANPC1KDM4EKMT2AMAPT
SCHEMBL11799791 0.78 NPC1 (0.36) RAB9ANPC1KDM4EKMT2AMAPT
SCHEMBL3859298 0.76 NPC1 (0.41) RAB9ANPC1KDM4EKMT2AMAPT
SCHEMBL3735368 0.76 RAB9A (0.45) TOP2ATOP2BRAB9ANPC1KDM4E
SCHEMBL7841262 0.76 RAB9A (0.39) TOP2ATOP2BRAB9ANPC1KDM4E
SCHEMBL7094488 0.75 RAB9A (0.38) RAB9ANPC1KDM4EKMT2AMAPT
SCHEMBL973209 0.75 IKBKB (0.40) RAB9ANPC1KDM4EKMT2AMAPT
SCHEMBL7088775 0.74 NPC1 (0.41) RAB9ANPC1KDM4EKMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040107518-A1 Hetero-anellated ortho-aminophenols and their use as dye components CLARIANT FINANCE (BVI) LIMITED (BR) 2004-06-10 — — US disclosed
EP-1335905-A1 HETERO-ANELLATED ORTHO-AMINOPHENOLS AND THEIR USE AS DYE COMPONENTS Clariant International Ltd. (CH) 2003-08-20 — — EP disclosed
WO-2002038549-A1 HETERO-ANELLATED ORTHO-AMINOPHENOLS AND THEIR USE AS DYE COMPONENTS CLARIANT FINANCE (BVI) LTD. (GB) 2002-05-16 — — WO disclosed
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