SCHEMBL19660211

SCHEMBL19660211

COC(=O)C(C)CC(=O)c1ccc(CF)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.47
▸ L3MBTL1 Q9Y468 3/20 0.46
▸ ESRRB O95718 1/20 0.45
▸ LOXL2 Q9Y4K0 1/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ MAPT P10636 3/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ RAB9A P51151 1/20 0.38
▸ TAS1R3 Q7RTX0 1/20 0.38
▸ TAS1R1 Q7RTX1 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ ALOX12 P18054 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ TSHR P16473 1/20 0.38

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
SCHEMBL19660210 0.86 KMT2A (0.49) KMT2AL3MBTL1LOXL2MEN1NPC1
SCHEMBL6509897 0.80 KMT2A (0.72) KMT2AL3MBTL1ESRRBMEN1NPC1
SCHEMBL19660004 0.80 PTPN1 (0.50) KMT2AL3MBTL1ESRRBMAPTALDH1A1
SCHEMBL23797038 0.80 KMT2A (0.43) KMT2AL3MBTL1LOXL2MEN1NPC1
SCHEMBL23797050 0.79 ALOX15 (0.50) KMT2AL3MBTL1ALDH1A1LMNARAB9A
SCHEMBL11262738 0.78 KMT2A (0.50) KMT2AL3MBTL1ESRRBMAPTSMN1; SMN2
SCHEMBL3111391 0.76 LOXL2 (0.66) KMT2ALOXL2MEN1NPC1MAPT
SCHEMBL639093 0.75 PIM1 (0.45) KMT2AL3MBTL1ESRRBMAPTALDH1A1
SCHEMBL26673391 0.74 SLC6A3 (0.45) KMT2AL3MBTL1ESRRBMEN1NPC1
SCHEMBL11576141 0.74 KMT2A (0.50) KMT2AL3MBTL1MEN1NPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3464248-B1 3-OXO-2,6-DIPHENYL-2,3-DIHYDROPYRIDAZINE-4-CARBOXAMIDES Bayer Pharma AG (DE) 2021-09-08 — — EP disclosed
WO-2017202816-A1 3-OXO-2,6-DIPHENYL-2,3-DIHYDROPYRIDAZINE-4-CARBOXAMIDES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-11-30 — — WO disclosed
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