SCHEMBL9475341

SCHEMBL9475341

CCCCNC(=O)N(CCCC)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 5/20 0.62
HDAC1 Q13547 4/20 0.62
LTB4R2 Q9NPC1 1/20 0.57
NPC1 O15118 1/20 0.56
JAK2 O60674 1/20 0.56
RAB9A P51151 1/20 0.56
PAX8 Q06710 1/20 0.56
HTT P42858 3/20 0.50
MAPT P10636 2/20 0.50
TSHR P16473 2/20 0.50
GAA P10253 1/20 0.50
ALOX12 P18054 1/20 0.50
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
ALDH1A1 P00352 4/20 0.49
ADRB2 P07550 1/20 0.49
TP53 P04637 1/20 0.49
NAAA Q02083 1/20 0.46
MEN1 O00255 1/20 0.46

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
SCHEMBL28666105 0.92 NPC1 (0.62) HDAC6HDAC1LTB4R2NPC1JAK2
SCHEMBL28755190 0.91 NPC1 (0.65) HDAC6HDAC1LTB4R2NPC1JAK2
SCHEMBL28661257 0.91 NPC1 (0.65) HDAC6HDAC1LTB4R2NPC1JAK2
SCHEMBL28942086 0.91 NPC1 (0.65) HDAC6HDAC1LTB4R2NPC1JAK2
SCHEMBL28673232 0.91 NPC1 (0.65) HDAC6HDAC1LTB4R2NPC1JAK2
SCHEMBL28755242 0.91 NPC1 (0.65) HDAC6HDAC1LTB4R2NPC1JAK2
SCHEMBL18746216 0.89 MEN1 (0.59) HDAC6HDAC1LTB4R2NPC1JAK2
SCHEMBL25222350 0.89 HDAC6 (0.64) HDAC6HDAC1LTB4R2NPC1JAK2
SCHEMBL5821101 0.88 NPC1 (0.57) HDAC6HDAC1LTB4R2NPC1JAK2
SCHEMBL3482860 0.86 LTB4R2 (0.56) HDAC6HDAC1LTB4R2NPC1JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110352192-B Heterocyclic compound and harmful arthropod control agent containing same 住友化学株式会社 2023-03-24 CN disclosed
CN-109843963-B Isocyanate composition, method for producing isocyanate polymer, and isocyanate polymer 旭化成株式会社 2022-05-13 CN disclosed
CN-104891965-A Environment-friendly building ceramic product QINGDAO GUOHANG XIANGYU TECHNOLOGY SERVICE CO LTD 2015-09-09 CN disclosed
CN-104402323-A Building ceramic QINGDAO KELIKE INFORMATION TECHNOLOGY CO LTD 2015-03-11 CN disclosed
CN-102898990-A Epoxy adhesive for ceramic bonding SUZHOU FEN LAKE ELEVATOR CO 2013-01-30 CN disclosed
CN-1123565-C Process for preparing unsymmetric phenyl substituted urea DALIAN CHEMICAL PHYSICS INST (CN) 2003-10-08 CN disclosed
CN-1271725-A Process for preparing unsymmetric phenyl substituted urea DALIAN CHEMICAL PHYSICS INST (CN) 2000-11-01 CN disclosed
US-5220061-A Slowyly mixing n,n dialkyl-n-phenylurea and methylene bis/ alkyl carbamate/ with acid catalyst; heating ARCO CHEMICAL TECHNOLOGY, L.P. (US) 1993-06-15 US disclosed