SCHEMBL6604064

SCHEMBL6604064

O=C(Cl)Oc1cnccn1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
NAPRT Q6XQN6 1/20 0.42
HCAR2 Q8TDS4 1/20 0.42
KMT2A Q03164 2/20 0.41
ADORA3 P0DMS8 1/20 0.41
TSHR P16473 1/20 0.41
MC4R P32245 1/20 0.41
ADRA1A P35348 1/20 0.41
MC3R P41968 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.39
POLB P06746 3/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
TP53 P04637 1/20 0.33
MCL1 Q07820 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL27623455 0.83 KDM4E (0.45) KDM4ENAPRTHCAR2KMT2AADORA3
SCHEMBL1030459 0.81 KDM4E (0.48) KDM4ENAPRTHCAR2KMT2AADORA3
SCHEMBL7529038 0.79 KMT2A (0.45) KDM4ENAPRTHCAR2KMT2AADORA3
SCHEMBL30880791 0.79 ADORA3 (0.50) KDM4ENAPRTHCAR2KMT2AADORA3
SCHEMBL1899099 0.79 KMT2A (0.49) KDM4ENAPRTHCAR2KMT2AADORA3
SCHEMBL306075 0.79 ADORA3 (0.50) KDM4ENAPRTHCAR2KMT2AADORA3
SCHEMBL27830052 0.78 KMT2A (0.47) KDM4ENAPRTHCAR2KMT2AADORA3
SCHEMBL11760815 0.78 KMT2A (0.44) KDM4ENAPRTHCAR2KMT2AADORA3
SCHEMBL27814716 0.78 KDM4E (0.41) KDM4ENAPRTHCAR2KMT2AADORA3
Hydrochloric Acid SCHEMBL27648812 0.78 KMT2A (0.47) KDM4ENAPRTHCAR2KMT2AADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117965239-A Preparation method of solid aroma-diving substance and aroma-diving type cigarette lap adhesive 河南中烟工业有限责任公司 2024-05-03 CN disclosed
EP-0922036-B1 ARYLALKANOYL PYRIDAZINES MERCK PATENT GMBH (DE) 2004-03-24 EP disclosed
EP-1301464-A1 BIPHENYLCARBOXYLIC ACID AMIDES, PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim Pharma KG (DE) 2003-04-16 EP disclosed
EP-0763534-B1 Arylalkyl-diazinone derivatives as phosphodiesterase IV inhibitors MERCK PATENT GMBH (DE) 2003-02-26 EP disclosed
EP-1143944-A3 USE OF ARYLALKANOYLPYRIDAZINES MERCK PATENT GmbH (DE) 2002-09-11 EP disclosed
EP-0994865-B1 TRIAZOLE COMPOUNDS AND THE USE THEREOF AS DOPAMINE-D 3-LIGANDS BASF AG (DE) 2002-03-06 EP disclosed
WO-2002004403-A1 BIPHENYLCARBOXYLIC ACID AMIDES, PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-01-17 WO disclosed
EP-1143944-A2 USE OF ARYLALKANOYLPYRIDAZINES MERCK PATENT GmbH (DE) 2001-10-17 EP disclosed
WO-2000059484-A2 USE OF ARYLALKANOYLPYRIDAZINES MERCK PATENT GMBH (DE) 2000-10-12 WO disclosed
EP-0994865-A1 TRIAZOLE COMPOUNDS AND THE USE THEREOF AS DOPAMINE-D 3?-LIGANDS BASF AKTIENGESELLSCHAFT (DE) 2000-04-26 EP disclosed
EP-0922036-A1 ARYLALKANOYL PYRIDAZINES MERCK PATENT GmbH (DE) 1999-06-16 EP disclosed
WO-1999002503-A1 TRIAZOLE COMPOUNDS AND THE USE THEREOF AS DOPAMINE-D3-LIGANDS BASF AKTIENGESELLSCHAFT (DE) 1999-01-21 WO disclosed
WO-1998006704-A1 ARYLALKANOYL PYRIDAZINES MERCK PATENT GMBH (DE) 1998-02-19 WO disclosed
EP-0763534-A1 Arylalkyl-diazinone derivatives as phosphodiesterase IV inhibitors MERCK PATENT GmbH (DE) 1997-03-19 EP disclosed