SCHEMBL9645280

SCHEMBL9645280

COC(=O)CN1C(=O)CCCN1c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.44
GAA P10253 3/20 0.43
ALDH1A1 P00352 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 2/20 0.40
CTSG P08311 1/20 0.40
CMA1 P23946 1/20 0.40
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 3/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 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
SCHEMBL9645410 0.76 MEN1 (0.43) HTTGAAALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL9645284 0.74 L3MBTL1 (0.51) GAAL3MBTL1SMN1; SMN2CTSGCMA1
SCHEMBL9645861 0.71 GRM5 (0.40) ALDH1A1L3MBTL1LMNACYP3A4TSHR
SCHEMBL9645288 0.71 GAA (0.44) GAAALDH1A1L3MBTL1SMN1; SMN2KDM4E
SCHEMBL9645470 0.70 POLB (0.42) HTTGAAALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL13777921 0.70 KMT2A (0.47) GAAALDH1A1L3MBTL1SMN1; SMN2MEN1
SCHEMBL3392318 0.70 TSHR (0.59) HTTALDH1A1L3MBTL1SMN1; SMN2LMNA
SCHEMBL9453365 0.68 MEN1 (0.38) ALDH1A1L3MBTL1CTSGCMA1CYP1A2
SCHEMBL7979583 0.68 TSHR (0.53) HTTALDH1A1L3MBTL1SMN1; SMN2LMNA
SCHEMBL9645251 0.67 ALDH1A1 (0.50) ALDH1A1L3MBTL1SMN1; SMN2CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5086052-A Antiarthritic, antiallergens, antiinflammatory agents; also for asthma and psoriasis ABBOTT LABORATORIES (US) 1992-02-04 US disclosed
US-4970210-A ENZYME INHIBITORS ABBOTT LABORATORIES (US) 1990-11-13 US disclosed
EP-0299449-A2 Pyridazinone, triazinone and oxapyridazinone lipoxygenase inhibiting compounds ABBOTT LABORATORIES (US) 1989-01-18 EP disclosed