SCHEMBL9645360

SCHEMBL9645360

O=C1NN(c2ccccc2)CCN1Cc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.53
CRBN Q96SW2 1/20 0.53
ALOX5 P09917 3/20 0.50
G6PD P11413 1/20 0.50
ALOX15 P16050 1/20 0.50
ALOX12 P18054 1/20 0.50
PTGS1 P23219 1/20 0.50
PTGS2 P35354 1/20 0.50
KMT2A Q03164 2/20 0.47
POLB P06746 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP2D6 P10635 1/20 0.47
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 1/20 0.44
DRD3 P35462 1/20 0.43
KCNH2 Q12809 1/20 0.43
DRD4 P21917 1/20 0.42
EPHX2 P34913 1/20 0.42

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
SCHEMBL9646977 0.81 ALOX5 (0.51) ALOX5G6PDALOX15ALOX12PTGS1
SCHEMBL16416392 0.74 KMT2A (0.76) DDB1CRBNKMT2APOLBCYP2C9
SCHEMBL29450073 0.74 KMT2A (0.76) DDB1CRBNKMT2APOLBCYP2C9
SCHEMBL11052192 0.74 KMT2A (0.59) DDB1CRBNKMT2APOLBCYP2C9
SCHEMBL5251522 0.73 MAPT (0.70) DDB1CRBNKMT2APOLBCYP2C9
SCHEMBL152680 0.73 MAPT (0.70) DDB1CRBNKMT2APOLBCYP2C9
SCHEMBL9644469 0.72 ALOX5 (0.56) ALOX5G6PDALOX15ALOX12PTGS1
SCHEMBL5642423 0.71 L3MBTL1 (0.62) DDB1CRBNKMT2APOLBCYP2C9
SCHEMBL16786536 0.69 SIGMAR1 (0.58) DDB1CRBNKMT2APOLBCYP2C9
SCHEMBL4619569 0.69 SMN1; SMN2 (0.71) DDB1CRBNKMT2APOLBCYP2C9

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