SCHEMBL27925524

SCHEMBL27925524

O=C(OCc1ccccn1)c1ccncc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.54
NPC1 O15118 5/20 0.54
RAB9A P51151 5/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
LMNA P02545 1/20 0.54
KDM4E B2RXH2 3/20 0.53
KMT2A Q03164 2/20 0.53
PARP10 Q53GL7 1/20 0.50
HSD17B10 Q99714 1/20 0.48
ALDH1A1 P00352 2/20 0.48
CNR2 P34972 1/20 0.47
MAPT P10636 3/20 0.47
HPGD P15428 2/20 0.47
CASP3 P42574 2/20 0.47
SENP8 Q96LD8 2/20 0.47
SENP7 Q9BQF6 2/20 0.47
SENP6 Q9GZR1 2/20 0.47
TSHR P16473 2/20 0.47
MAPK1 P28482 2/20 0.47
CYP1A2 P05177 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
SCHEMBL30620627 0.90 NPC1 (0.60) L3MBTL1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL27817990 0.90 NPC1 (0.60) L3MBTL1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL8069269 0.84 NPC1 (0.51) NPC1RAB9ASMN1; SMN2LMNAKMT2A
SCHEMBL11527522 0.84 NPC1 (0.64) L3MBTL1NPC1RAB9ASMN1; SMN2LMNA
Iodomethane SCHEMBL11478139 0.81 RAB9A (0.57) L3MBTL1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL20918141 0.80 NPSR1 (0.58) L3MBTL1NPC1RAB9ASMN1; SMN2LMNA
Iodomethane SCHEMBL11489847 0.80 KMT2A (0.59) NPC1RAB9ASMN1; SMN2KMT2APARP10
SCHEMBL11529772 0.80 KMT2A (0.58) L3MBTL1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL20509994 0.79 SMN1; SMN2 (0.63) NPC1RAB9ASMN1; SMN2LMNAKDM4E
SCHEMBL4014798 0.79 TDP1 (0.54) L3MBTL1RAB9ASMN1; SMN2LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105685064-A HERBICIDAL ISOXAZOLO[5,4-b]PYRIDINES 巴斯夫欧洲公司 2016-06-22 CN claimed
CN-103124733-B Herbicidal isoxazolo [5,4-b ] pyridines BASF SE (DE) 2016-03-30 CN claimed
CN-103124733-A Herbicidal isoxazolo [5,4-b ] pyridines BASF SE 2013-05-29 CN claimed
CN-105685064-B Weeding isoxazoles simultaneously [5,4-b] pyridine 巴斯夫欧洲公司 2018-06-22 CN disclosed
CN-105685064-A HERBICIDAL ISOXAZOLO[5,4-b]PYRIDINES 巴斯夫欧洲公司 2016-06-22 CN disclosed
CN-103124733-B Herbicidal isoxazolo [5,4-b ] pyridines BASF SE (DE) 2016-03-30 CN disclosed
CN-103124733-A Herbicidal isoxazolo [5,4-b ] pyridines BASF SE 2013-05-29 CN disclosed