SCHEMBL8568341

SCHEMBL8568341

O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1NC(=O)C(Cl)(Cl)Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C4 P17516 1/20 0.52
AKR1C3 P42330 1/20 0.52
AKR1C2 P52895 1/20 0.52
AKR1C1 Q04828 1/20 0.52
MAPT P10636 7/20 0.50
LMNA P02545 5/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
POLB P06746 1/20 0.50
HTT P42858 1/20 0.50
PIN1 Q13526 1/20 0.49
CTSV O60911 1/20 0.49
CTSL P07711 1/20 0.49
ALDH1A1 P00352 4/20 0.47
GAA P10253 2/20 0.47
MEN1 O00255 6/20 0.47
KMT2A Q03164 6/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47

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
SCHEMBL6545840 0.88 AKR1C4 (0.52) AKR1C4AKR1C3AKR1C2AKR1C1MAPT
SCHEMBL7752904 0.84 AKR1C4 (0.67) AKR1C4AKR1C3AKR1C2AKR1C1MAPT
SCHEMBL6811878 0.83 CYP19A1 (0.59) AKR1C4AKR1C3AKR1C2AKR1C1MAPT
SCHEMBL11883066 0.82 ALDH1A1 (0.63) AKR1C4AKR1C3AKR1C2AKR1C1MAPT
SCHEMBL7752953 0.82 PIN1 (0.56) AKR1C4AKR1C3AKR1C2AKR1C1MAPT
SCHEMBL27346954 0.81 MAPT (0.56) AKR1C4AKR1C3AKR1C2AKR1C1MAPT
SCHEMBL8578400 0.81 MAPT (0.73) AKR1C4AKR1C3AKR1C2AKR1C1MAPT
SCHEMBL8569299 0.80 MAPT (0.67) MAPTLMNASMN1; SMN2POLBHTT
SCHEMBL31541287 0.80 MEN1 (0.52) AKR1C4AKR1C3AKR1C2AKR1C1MAPT
SCHEMBL11157919 0.80 MEN1 (0.52) AKR1C4AKR1C3AKR1C2AKR1C1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0626373-B1 Quinazolinone derivatives SUMITOMO PHARMA (JP) 1998-12-23 EP disclosed
US-5556860-A ANTIISCHEMIC AGENTS, BRAIN DISORDERS AND BLOOD METAL CONCENTRATIONS AND KIDNEY DISEASE SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 1996-09-17 US disclosed
EP-0626373-A1 Quinazolinone derivatives SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1994-11-30 EP disclosed
US-3980645-A Fused quinazolinones and a process for production thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-09-14 US disclosed