SCHEMBL9062437

SCHEMBL9062437

CC(O)C(=O)NCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.65
MME P08473 1/20 0.59
ALDH1A1 P00352 3/20 0.59
MEN1 O00255 3/20 0.59
MAPT P10636 2/20 0.59
SLC1A2 P43004 1/20 0.58
CYP3A4 P08684 1/20 0.58
L3MBTL1 Q9Y468 2/20 0.56
MMP8 P22894 1/20 0.56
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA3 P07451 1/20 0.54
CA4 P22748 1/20 0.54
CA6 P23280 1/20 0.54
CA5A P35218 1/20 0.54
CA7 P43166 1/20 0.54
CACNA1C Q13936 1/20 0.54
SCN9A Q15858 1/20 0.54
CA9 Q16790 1/20 0.54

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
SCHEMBL10405578 1.00 KMT2A (0.65) KMT2AMMEALDH1A1MEN1MAPT
SCHEMBL8760 0.86 KMT2A (0.67) KMT2AMMEALDH1A1MEN1MAPT
SCHEMBL21233754 0.85 KMT2A (0.61) KMT2AMMEALDH1A1MEN1MAPT
SCHEMBL25681471 0.85 KMT2A (0.61) KMT2AMMEALDH1A1MEN1MAPT
SCHEMBL4405619 0.85 KMT2A (0.61) KMT2AMMEALDH1A1MEN1MAPT
SCHEMBL21233885 0.85 KMT2A (0.61) KMT2AMMEALDH1A1MEN1MAPT
Hydrochloric Acid SCHEMBL23235729 0.85 KMT2A (0.65) KMT2AMMEALDH1A1MEN1MAPT
SCHEMBL146434 0.85 KMT2A (0.65) KMT2AMMEALDH1A1MEN1MAPT
SCHEMBL714386 0.84 KMT2A (0.59) KMT2AMMEALDH1A1MEN1MAPT
SCHEMBL6522964 0.84 KMT2A (0.59) KMT2AMMEALDH1A1MEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117623968-A Method for preparing N-substituted lactamide by catalyzing polylactic acid aminolysis with ionic liquid 中国科学院化学研究所 2024-03-01 CN disclosed
WO-2014128660-A1 SYNTHESIS OF DEOXYAMINO SUGARS GLYCOM A/S (DK) 2014-08-28 WO disclosed
US-7544808-B2 Tricyclic modulators of the glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-09 US disclosed
WO-1996028459-A1 ANTI-MICROBIAL COMPOSITIONS CASTROL LIMITED (GB) 1996-09-19 WO disclosed
WO-1996004590-A1 SPIRO[INDOLINE-[2,3']-BENZOXAZINE]-TYPE PHOTOCHROMIC COMPOUNDS CONTAINING A 6'-CYANO OR PHENYLSULPHONYL GROUP AND WITH A 7', 8'-CONDENSED BENZENE RING IN THE BENZOXAZINE RING AND USE OF SAME IN OPHTHALMIC OPTICS ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 1996-02-15 WO disclosed