SCHEMBL28056008

SCHEMBL28056008

O=C(O)Nc1ccc2ccccc2n1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.72
RAB9A P51151 8/20 0.72
KMT2A Q03164 2/20 0.70
SMN1; SMN2 Q16637 2/20 0.62
NFKB1 P19838 1/20 0.62
NFKB2 Q00653 1/20 0.62
RELA Q04206 1/20 0.62
ADORA3 P0DMS8 1/20 0.58
ADORA2A P29274 1/20 0.58
ADORA2B P29275 1/20 0.58
ADORA1 P30542 1/20 0.58
NCF1 P14598 1/20 0.57
MAPK1 P28482 1/20 0.56
PDE10A Q9Y233 1/20 0.56
WNT3A P56704 1/20 0.56
MTOR P42345 1/20 0.55
NOTUM Q6P988 1/20 0.55
SORT1 Q99523 1/20 0.55
TP53 P04637 1/20 0.54
POLB P06746 1/20 0.54

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
SCHEMBL27657075 0.86 KMT2A (0.83) NPC1RAB9AKMT2ASMN1; SMN2NFKB1
SCHEMBL11884568 0.85 NPC1 (0.68) NPC1RAB9AKMT2ASMN1; SMN2NFKB1
SCHEMBL6257291 0.84 NPC1 (1.00) NPC1RAB9AKMT2ASMN1; SMN2NFKB1
Hydrochloric Acid SCHEMBL5505787 0.84 NPC1 (0.66) NPC1RAB9AKMT2ASMN1; SMN2NFKB1
SCHEMBL2773540 0.83 NPC1 (0.60) NPC1RAB9AKMT2ASMN1; SMN2NFKB1
SCHEMBL2360527 0.83 NPC1 (0.65) NPC1RAB9AKMT2ASMN1; SMN2NFKB1
SCHEMBL30101947 0.83 NPC1 (0.65) NPC1RAB9AKMT2ASMN1; SMN2NFKB1
SCHEMBL28751724 0.83 NPC1 (0.65) NPC1RAB9AKMT2ASMN1; SMN2NFKB1
SCHEMBL3506441 0.83 NPC1 (0.65) NPC1RAB9AKMT2ASMN1; SMN2NFKB1
SCHEMBL31078859 0.82 KMT2A (1.00) NPC1RAB9AKMT2ASMN1; SMN2NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023001133-A1 PRMT5 INHIBITOR 上海齐鲁制药研究中心有限公司 2023-01-26 WO disclosed
CN-111518026-A Fluorescent molecular probe for identifying and detecting oxalic acid and preparation method and application thereof 齐齐哈尔大学 2020-08-11 CN disclosed
CN-105733559-B The preparation method and application of oxamido- quinoline fluorescent molecular probe 齐齐哈尔大学 2018-05-04 CN disclosed
CN-104961725-B 4-alpha, beta-unsaturated carboxamidoquinoline compounds and preparation and application 浙江大学 2017-04-19 CN disclosed
CN-104961725-B 4-alpha, beta-unsaturated carboxamidoquinoline compounds and preparation and application 浙江大学 2017-04-19 CN disclosed
CN-106336378-A Preparation method of quinoline-2-formic ether series 江西师范大学 2017-01-18 CN disclosed
CN-105733559-A Oxalyl aminoquinoline derivative fluorescent molecular probe and preparation method and application thereof 齐齐哈尔大学 2016-07-06 CN disclosed
CN-104961725-A 4-alpha, beta-unsaturated carboxamidoquinoline compounds and preparation and application UNIV ZHEJIANG 2015-10-07 CN disclosed
CN-104961725-A 4-alpha, beta-unsaturated carboxamidoquinoline compounds and preparation and application UNIV ZHEJIANG 2015-10-07 CN disclosed