SCHEMBL27745845

SCHEMBL27745845

Nc1ccc(N)c(-c2ccccc2-c2ccccc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
HSD17B10 Q99714 2/20 0.58
NPC1 O15118 3/20 0.48
PTPRC P08575 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NCOA1 Q15788 2/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
APAF1 O14727 1/20 0.48
TDP2 O95551 1/20 0.48
NSD2 O96028 1/20 0.48
LMNA P02545 1/20 0.48
PLA2G1B P04054 1/20 0.48
POLB P06746 1/20 0.48
CTSL P07711 1/20 0.48
HPGD P15428 1/20 0.48
ALOX12 P18054 1/20 0.48
PLCG1 P19174 1/20 0.48
CTSS P25774 1/20 0.48

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
SCHEMBL29460321 0.89 ALDH1A1 (0.58) ALDH1A1HSD17B10NPC1PTPRCRAB9A
SCHEMBL140192 0.89 ALDH1A1 (0.58) ALDH1A1HSD17B10NPC1PTPRCRAB9A
SCHEMBL29637424 0.87 ALDH1A1 (0.57) ALDH1A1HSD17B10NPC1PTPRCRAB9A
Hydrochloric Acid SCHEMBL7870960 0.87 ALDH1A1 (0.56) ALDH1A1HSD17B10NPC1PTPRCRAB9A
Bromide SCHEMBL28748090 0.87 ALDH1A1 (0.56) ALDH1A1HSD17B10NPC1PTPRCRAB9A
SCHEMBL4395100 0.87 ALDH1A1 (0.57) ALDH1A1HSD17B10NPC1PTPRCRAB9A
Hydrochloric Acid SCHEMBL6570785 0.87 ALDH1A1 (0.56) ALDH1A1HSD17B10NPC1PTPRCRAB9A
SCHEMBL16820312 0.87 PTPRC (0.63) ALDH1A1HSD17B10NPC1PTPRCRAB9A
SCHEMBL30545213 0.87 ALDH1A1 (0.57) ALDH1A1HSD17B10NPC1PTPRCRAB9A
SCHEMBL25631879 0.86 ALDH1A1 (0.61) ALDH1A1HSD17B10NPC1PTPRCRAB9A

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
CN-117924631-A Preparation method of porous-grade kagome covalent organic framework material and application of porous-grade kagome covalent organic framework material in catalytic synthesis of lactide 西安凯立新材料股份有限公司 2024-04-26 CN disclosed
CN-115135316-A Lipoxygenase inhibitors 思研(SRI)国际顾问与咨询公司 2022-09-30 CN disclosed
CN-106410026-B The Hole transporting layers of organic semiconductor device and its application and organic electronic device 欧司朗OLED股份有限公司 2019-05-14 CN disclosed
CN-107698622-A Include the organic electronic device of the layer containing at least one metallo-organic compound and at least one metal oxide UDC 爱尔兰有限责任公司 2018-02-16 CN disclosed
CN-106410026-A Hole conduction layer of organic semiconductor devices, applications thereof, and the organic semiconductor devices 欧司朗OLED股份有限公司 2017-02-15 CN disclosed
CN-103080105-A Nitrogen-bonded 5-membered heterocyclic substituted dibenzofurans and dibenzothiophenes and their use in organic electronics BASF SE 2013-05-01 CN disclosed
CN-103068950-A Organic electronic device comprising a layer containing at least one metal-organic compound and at least one metal oxide BASF SE 2013-04-24 CN disclosed
CN-101337888-A Method for preparing butanediol dimethylacrylate EVONIK ROEHM GMBH (DE) 2009-01-07 CN disclosed
CN-101337889-A Method for preparing (methyl) acrylic ester EVONIK ROEHM GMBH (DE) 2009-01-07 CN disclosed