SCHEMBL9752705

SCHEMBL9752705

O=C=NCCCc1cccc(CCCN=C=O)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MIF P14174 6/20 0.48
▸ NAAA Q02083 4/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ NOS1 P29475 1/20 0.41
▸ HTR3A P46098 2/20 0.37
▸ HTR3E A5X5Y0 1/20 0.37
▸ HTR3B O95264 1/20 0.37
▸ HTR3D Q70Z44 1/20 0.37
▸ HTR3C Q8WXA8 1/20 0.37
▸ TAAR1 Q96RJ0 1/20 0.34
▸ TRPA1 O75762 1/20 0.34
▸ CYP2E1 P05181 1/20 0.34
▸ CYP2A6 P11509 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ CYP2A13 Q16696 1/20 0.34
▸ EPAS1 Q99814 1/20 0.34
▸ MGLL Q99685 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
SCHEMBL6808470 0.94 MIF (0.50) MIFNAAAMEN1KMT2ANOS1
SCHEMBL21248287 0.89 HTR3E (0.51) MIFHTR3AHTR3EHTR3BHTR3D
SCHEMBL6804290 0.88 MIF (0.50) MIFNAAAMEN1KMT2ANOS1
SCHEMBL10998392 0.87 MIF (0.41) MIFNAAA
SCHEMBL21391591 0.86 MIF (0.41) MIFNAAAMEN1KMT2ANOS1
SCHEMBL8446895 0.86 MIF (0.46) MIFNAAAMEN1KMT2ANOS1
SCHEMBL1149239 0.86 MIF (0.66) MIFNAAAHTR3ATRPA1CYP2E1
SCHEMBL23744240 0.84 MIF (0.39) MIFNAAANOS1HTR3AHTR3E
SCHEMBL330828 0.83 MIF (0.50) MIFNAAAHTR3AHTR3EHTR3B
SCHEMBL5802770 0.81 CYP4F2 (0.40) MIFNAAAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114561122-A Ink set and recording method 精工爱普生株式会社 2022-05-31 — — CN claimed
US-20210198503-A1 Ink Jet Ink Composition, Ink Composition Producing Method, Recorded Product, And Ink Jet Recording Method SEIKO EPSON CORPORATION (JP) 2021-07-01 — — US claimed
EP-0432257-A1 OXIME-BLOCKED POLYISOCYANATES AND POLYESTER AND POWDER COATING COMPOSITIONS CONTAINING SUCH OXIME-BLOCKED POLYISOCYANATES EASTMAN KODAK COMPANY (US) 1991-06-19 — — EP claimed
WO-1991000267-A1 OXIME-BLOCKED POLYISOCYANATES AND POLYESTER AND POWDER COATING COMPOSITIONS CONTAINING SUCH OXIME-BLOCKED POLYISOCYANATES EASTMAN KODAK COMPANY (US) 1991-01-10 — — WO claimed
US-11390769-B2 Ink jet printing method, primer ink composition, and ink jet ink composition SEIKO EPSON CORPORATION 2022-07-19 — — US disclosed
CN-114561122-A Ink set and recording method 精工爱普生株式会社 2022-05-31 — — CN disclosed
US-20210198503-A1 Ink Jet Ink Composition, Ink Composition Producing Method, Recorded Product, And Ink Jet Recording Method SEIKO EPSON CORPORATION (JP) 2021-07-01 — — US disclosed
US-20210198503-A1 Ink Jet Ink Composition, Ink Composition Producing Method, Recorded Product, And Ink Jet Recording Method SEIKO EPSON CORPORATION (JP) 2021-07-01 — — US disclosed
US-20200377750-A1 Ink Jet Printing Method, Primer Ink Composition, And Ink Jet Ink Composition SEIKO EPSON CORPORATION (JP) 2020-12-03 — — US disclosed
US-20200207996-A1 INK JET INK COMPOSITION, INK JET PRINTING METHOD, AND INK JET PRINTING APPARATUS SEIKO EPSON CORPORATION (JP) 2020-07-02 — — US disclosed
EP-2660260-B1 COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL CO (JP) 2018-09-12 — — EP disclosed
EP-2660260-A1 COMPOSITION FOR OPTICAL MATERIAL Mitsubishi Gas Chemical Company, Inc. (JP) 2013-11-06 — — EP disclosed
US-20130267673-A1 COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2013-10-10 — — US disclosed
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