SCHEMBL9694013

SCHEMBL9694013

O=Cc1c([N+](=O)[O-])ccc(N2CCCC2)c1Cl

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.67
POLB P06746 4/20 0.67
CYP1A2 P05177 2/20 0.67
CYP2C19 P33261 2/20 0.67
CYP2C9 P11712 1/20 0.67
MAPT P10636 10/20 0.58
ALDH1A3 P47895 1/20 0.58
LMNA P02545 5/20 0.57
MAPK1 P28482 3/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
CTSB P07858 1/20 0.54
AR P10275 1/20 0.54
GAA P10253 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
TNNI3 P19429 2/20 0.49
TNNT2 P45379 2/20 0.49
TNNC1 P63316 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
USP2 O75604 1/20 0.49

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
SCHEMBL9691740 0.98 ALDH1A1 (0.69) ALDH1A1POLBCYP1A2CYP2C19CYP2C9
SCHEMBL9694011 0.85 MAPT (0.52) ALDH1A1POLBCYP1A2CYP2C19CYP2C9
SCHEMBL10602573 0.77 ALDH1A1 (0.63) ALDH1A1POLBCYP1A2CYP2C19CYP2C9
SCHEMBL10600576 0.77 ALDH1A1 (0.63) ALDH1A1POLBCYP1A2CYP2C19CYP2C9
SCHEMBL20696980 0.76 ALDH1A1 (0.63) ALDH1A1POLBCYP1A2CYP2C19CYP2C9
SCHEMBL272834 0.75 TDP1 (0.62) ALDH1A1MAPK1MEN1KMT2A
SCHEMBL1419188 0.74 ALDH1A1 (1.00) ALDH1A1POLBCYP1A2CYP2C19CYP2C9
SCHEMBL28382330 0.74 ALDH1A1 (0.83) ALDH1A1POLBCYP1A2CYP2C19MAPT
SCHEMBL5093165 0.73 POLB (1.00) ALDH1A1POLBCYP1A2CYP2C19CYP2C9
SCHEMBL23486528 0.73 ALDH1A1 (1.00) ALDH1A1POLBCYP1A2CYP2C19CYP2C9

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
EP-0252503-B1 AMINOIMIDAZOQUINOLINE DERIVATIVES Bristol-Myers Squibb Company (US) 1992-11-19 EP disclosed
EP-0252503-A1 Aminoimidazoquinoline derivatives Bristol-Myers Squibb Company (US) 1988-01-13 EP disclosed
US-4701459-A 7-amino-1,3-dihydro-2H-imidazo[4,5-b]quinolin 2-ones and method for inhibiting phosphodiesterase and blood platelet aggregation BRISTOL-MYERS COMPANY (US) 1987-10-20 US disclosed