SCHEMBL9645470

SCHEMBL9645470

CCC(=O)N1C(=O)CCCN1c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
ALDH1A1 P00352 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
BLM P54132 1/20 0.41
HTT P42858 2/20 0.40
LMNA P02545 2/20 0.38
TSHR P16473 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
OPRM1 P35372 1/20 0.38
GAA P10253 2/20 0.37

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 0.79 MEN1 (0.43) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL9645251 0.79 ALDH1A1 (0.50) POLBALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL8592742 0.76 RAB9A (0.41) POLBALDH1A1LMNAMEN1KMT2A
SCHEMBL10664727 0.73 MAPT (0.38) POLBALDH1A1LMNAMEN1KMT2A
SCHEMBL5674146 0.73 ALDH1A1 (0.45) POLBALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL17881948 0.71 RIPK1 (0.49) POLBALDH1A1KMT2AGAA
SCHEMBL9645280 0.70 HTT (0.44) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL11280055 0.70 KMT2A (0.37) POLBALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL8590170 0.69 KMT2A (0.45) POLBALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL9645476 0.69 LMNA (0.39) POLBALDH1A1BLMHTTLMNA

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