SCHEMBL11208659

SCHEMBL11208659

O=C(O)C(Cc1c[nH]cn1)Nc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 2/20 0.40
▸ ITGB1 P05556 1/20 0.36
▸ ITGA4 P13612 1/20 0.36
▸ NPR3 P17342 1/20 0.36
▸ KMT2A Q03164 1/20 0.35
▸ PTPRA P18433 1/20 0.35
▸ LMNA P02545 3/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ TSHR P16473 2/20 0.34
▸ PSMB5 P28074 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ GAA P10253 2/20 0.33
▸ GPR142 Q7Z601 1/20 0.33
▸ MME P08473 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ NAALAD2 Q9Y3Q0 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
SCHEMBL11208660 1.00 PPARG (0.40) PPARGITGB1ITGA4NPR3KMT2A
SCHEMBL7357707 0.88 PPARG (0.36) PPARGITGB1ITGA4NPR3KMT2A
SCHEMBL29086848 0.86 TRHDE (0.43) PPARGNPR3KMT2ALMNANPC1
SCHEMBL27565355 0.86 ALDH1A1 (0.32) PPARGLMNATSHRALDH1A1ALOX15
SCHEMBL10687094 0.85 ACE (0.40) MME
SCHEMBL10506297 0.85 ACE (0.40) MME
SCHEMBL10687059 0.85 ACE (0.40) MME
SCHEMBL8772935 0.84 FPR2 (0.44) PPARGITGB1ITGA4KMT2ANPC1
SCHEMBL8772938 0.84 FPR2 (0.44) PPARGITGB1ITGA4KMT2ANPC1
SCHEMBL4519604 0.83 MME (0.36) PPARGGPR142MME

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4657067-A2 MOLECULES AND METHODS FOR IMPROVED IMMUNODETECTION OF SMALL MOLECULES, SUCH AS HISTAMINE President And Fellows Of Harvard College (US) 2025-12-03 — — EP disclosed
CN-117425495-A Combination for the treatment of cancer 赛达克斯制药股份有限公司 2024-01-19 — — CN disclosed
US-20220026420-A1 MOLECULES AND METHODS FOR IMPROVED IMMUNODETECTION OF SMALL MOLECULES SUCH AS HISTAMINE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2022-01-27 — — US disclosed
EP-3881072-A1 MOLECULES AND METHODS FOR IMPROVED IMMUNODETECTION OF SMALL MOLECULES, SUCH AS HISTAMINE President And Fellows Of Harvard College (US) 2021-09-22 — — EP disclosed
WO-2020102660-A1 MOLECULES AND METHODS FOR IMPROVED IMMUNODETECTION OF SMALL MOLECULES, SUCH AS HISTAMINE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2020-05-22 — — WO disclosed
US-4405705-A HYDROPHILIC TOYO BOSEKI KABUSHIKI KAISHA T/A TOYOBA CO., LTD. (JP) 1983-09-20 — — US disclosed
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